N-Cyclopropyl-4-[7-[[(cis-3-hydroxy-3-methylcyclobutyl)methyl]amino]-5-(3-pyr...
C28H30N6O3
1610759-22-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 42 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 5.5770 6.6685 0.0 0
M  V30 2 C 4.8070 8.0022 0.0 0
M  V30 3 O 10.1970 4.0011 0.0 0
M  V30 4 C 13.4724 13.4313 0.0 0
M  V30 5 C 15.7613 11.3703 0.0 0
M  V30 6 N 16.9059 10.3399 0.0 0
M  V30 7 O 16.0815 12.8767 0.0 0
M  V30 8 C 0.0000 9.0911 0.0 0
M  V30 9 O 0.0000 6.9132 0.0 0
M  V30 10 C 9.4270 8.0022 0.0 0
M  V30 11 N 7.8870 8.0022 0.0 0
M  V30 12 C 9.9028 9.4667 0.0 0
M  V30 13 N 10.1970 6.6685 0.0 0
M  V30 14 C 7.1170 6.6685 0.0 0
M  V30 15 N 7.4110 9.4667 0.0 0
M  V30 16 C 8.6570 10.3719 0.0 0
M  V30 17 C 9.4270 5.3347 0.0 0
M  V30 18 C 7.8870 5.3347 0.0 0
M  V30 19 C 11.3674 9.9427 0.0 0
M  V30 20 C 11.6876 11.4490 0.0 0
M  V30 21 C 12.5119 8.9122 0.0 0
M  V30 22 C 13.1522 11.9249 0.0 0
M  V30 23 C 13.9765 9.3880 0.0 0
M  V30 24 C 14.2968 10.8944 0.0 0
M  V30 25 C 9.4270 2.6674 0.0 0
M  V30 26 C 7.8870 2.6674 0.0 0
M  V30 27 C 10.1970 1.3338 0.0 0
M  V30 28 C 7.1170 1.3338 0.0 0
M  V30 29 N 9.4270 0.0000 0.0 0
M  V30 30 C 7.8870 0.0000 0.0 0
M  V30 31 C 3.2670 8.0022 0.0 0 CFG=2
M  V30 32 C 2.1780 6.9132 0.0 0
M  V30 33 C 2.1780 9.0911 0.0 0
M  V30 34 C 1.0891 8.0022 0.0 0 CFG=2
M  V30 35 C 18.3704 10.8158 0.0 0
M  V30 36 C 19.4008 11.9601 0.0 0
M  V30 37 C 19.8768 10.4956 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 14
M  V30 3 1 31 2 CFG=1
M  V30 4 1 3 17
M  V30 5 1 3 25
M  V30 6 1 4 22
M  V30 7 1 5 6
M  V30 8 2 5 7
M  V30 9 1 5 24
M  V30 10 1 6 35
M  V30 11 1 34 8 CFG=3
M  V30 12 1 34 9 CFG=1
M  V30 13 1 10 11
M  V30 14 2 10 12
M  V30 15 1 10 13
M  V30 16 1 11 14
M  V30 17 1 11 15
M  V30 18 1 12 16
M  V30 19 1 12 19
M  V30 20 2 13 17
M  V30 21 2 14 18
M  V30 22 2 15 16
M  V30 23 1 17 18
M  V30 24 2 19 20
M  V30 25 1 19 21
M  V30 26 1 20 22
M  V30 27 2 21 23
M  V30 28 2 22 24
M  V30 29 1 23 24
M  V30 30 1 25 26
M  V30 31 2 25 27
M  V30 32 2 26 28
M  V30 33 1 27 29
M  V30 34 1 28 30
M  V30 35 2 29 30
M  V30 36 1 31 32
M  V30 37 1 31 33
M  V30 38 1 32 34
M  V30 39 1 33 34
M  V30 40 1 35 36
M  V30 41 1 35 37
M  V30 42 1 36 37
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEREL1 ATOMS=(2 31 34)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1610759-22-2

> <cas.index.name>
Benzamide, N-cyclopropyl-4-[7-[[(cis-3-hydroxy-3-methylcyclobutyl)methyl]amino]-5-(3-pyridinyloxy)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-

> <molecular.formula>
C28H30N6O3

> <molecular.weight>
498.58

> <density.predicted>
1.42±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.53±0.20    Most Acidic Temp: 25 °C

$$$$
