N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine

C178H209F12N45O3 — CID 158872437

IUPACN-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CCNC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C30H36F2N8.3C30H35F2N7O.2C29H34F2N8/c1-18(2)40-20(4)36-28-23(31)13-22(14-25(28)40)27-24(32)16-35-29(38-27)37-26-6-5-21(15-34-26)19(3)39-11-8-30(9-12-39)7-10-33-17-30;3*1-18(2)39-20(4)35-28-23(31)13-22(14-25(28)39)27-24(32)16-34-29(37-27)36-26-6-5-21(15-33-26)19(3)38-10-7-30(8-11-38)9-12-40-17-30;2*1-17(2)39-19(4)35-27-22(30)11-21(12-24(27)39)26-23(31)14-34-28(37-26)36-25-6-5-20(13-33-25)18(3)38-9-7-29(8-10-38)15-32-16-29/h5-6,13-16,18-19,33H,7-12,17H2,1-4H3,(H,34,35,37,38);3*5-6,13-16,18-19H,7-12,17H2,1-4H3,(H,33,34,36,37);2*5-6,11-14,17-18,32H,7-10,15-16H2,1-4H3,(H,33,34,36,37)/t;2*19-;;2*18-/m.10.00/s1
InChIKeyJBZYMKDZPNWKOQ-SSSQTMOFSA-N
MW3254.92 g/mol
LogP36.12
Rot. Bonds36

About N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine

N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 158872437) has the molecular formula C178H209F12N45O3 and a molecular weight of 3254.92 g/mol. Its IUPAC name is N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID158872437
Molecular FormulaC178H209F12N45O3
Molecular Weight3254.92 g/mol
Exact Mass3252.74
IUPAC NameN-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CCNC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C30H36F2N8.3C30H35F2N7O.2C29H34F2N8/c1-18(2)40-20(4)36-28-23(31)13-22(14-25(28)40)27-24(32)16-35-29(38-27)37-26-6-5-21(15-34-26)19(3)39-11-8-30(9-12-39)7-10-33-17-30;3*1-18(2)39-20(4)35-28-23(31)13-22(14-25(28)39)27-24(32)16-34-29(37-27)36-26-6-5-21(15-33-26)19(3)38-10-7-30(8-11-38)9-12-40-17-30;2*1-17(2)39-19(4)35-27-22(30)11-21(12-24(27)39)26-23(31)14-34-28(37-26)36-25-6-5-20(13-33-25)18(3)38-9-7-29(8-10-38)15-32-16-29/h5-6,13-16,18-19,33H,7-12,17H2,1-4H3,(H,34,35,37,38);3*5-6,13-16,18-19H,7-12,17H2,1-4H3,(H,33,34,36,37);2*5-6,11-14,17-18,32H,7-10,15-16H2,1-4H3,(H,33,34,36,37)/t;2*19-;;2*18-/m.10.00/s1
InChIKeyJBZYMKDZPNWKOQ-SSSQTMOFSA-N
XLogP36.12
TPSA494.34 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003254.92
LogP ≤ 536.12
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Analyze N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[(1S)-1-(6-azaspiro[2.5]octan-6-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(1R)-1-(6-azaspiro[2.5]octan-6-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine
CID 161046172
bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);N-[5-[1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 158029378
N-[5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146604103
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-pyrrolidin-1-ylethyl]-2-pyridinyl]pyrimidin-2-amine
CID 146604087
N-[5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118859812
N-[5-[1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146604463
N-[5-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(1R)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[1-(azetidin-1-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;1-[(1S)-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]ethyl]azetidin-3-ol;1-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]ethyl]azetidin-3-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-pyrrolidin-1-ylethyl]-2-pyridinyl]pyrimidin-2-amine
CID 158330670
[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(4-fluorooxan-4-yl)methanol
CID 146603969
N-[5-[1-(6-ethyl-3,6-diazabicyclo[3.2.1]octan-3-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146603884
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-piperazin-1-ylpropyl]-2-pyridinyl]pyrimidin-2-amine
CID 146603920
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine
CID 146604487
N-[5-[(4-ethylpiperazin-1-yl)-(oxetan-3-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146603828

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine (CID 158872437) is N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CCNC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CCOC6)CC5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is JBZYMKDZPNWKOQ-SSSQTMOFSA-N. The full InChI is InChI=1S/C30H36F2N8.3C30H35F2N7O.2C29H34F2N8/c1-18(2)40-20(4)36-28-23(31)13-22(14-25(28)40)27-24(32)16-35-29(38-27)37-26-6-5-21(15-34-26)19(3)39-11-8-30(9-12-39)7-10-33-17-30;3*1-18(2)39-20(4)35-28-23(31)13-22(14-25(28)39)27-24(32)16-34-29(37-27)36-26-6-5-21(15-33-26)19(3)38-10-7-30(8-11-38)9-12-40-17-30;2*1-17(2)39-19(4)35-27-22(30)11-21(12-24(27)39)26-23(31)14-34-28(37-26)36-25-6-5-20(13-33-25)18(3)38-9-7-29(8-10-38)15-32-16-29/h5-6,13-16,18-19,33H,7-12,17H2,1-4H3,(H,34,35,37,38);3*5-6,13-16,18-19H,7-12,17H2,1-4H3,(H,33,34,36,37);2*5-6,11-14,17-18,32H,7-10,15-16H2,1-4H3,(H,33,34,36,37)/t;2*19-;;2*18-/m.10.00/s1.
What are the key properties of N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine?
N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3254.92 g/mol, XLogP of 36.12, 36 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;bis(N-[5-[(1S)-1-(2,7-diazaspiro[3.5]nonan-7-yl)ethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine);5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 158872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).