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

C174H199F12N43O3 — CID 161046172

IUPACN-[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
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CC5)CC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C29H34F2N8.3C29H33F2N7O.2C29H33F2N7/c1-17(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;3*1-17(2)38-19(4)34-27-22(30)11-21(12-24(27)38)26-23(31)14-33-28(36-26)35-25-6-5-20(13-32-25)18(3)37-9-7-29(8-10-37)15-39-16-29;2*1-17(2)38-19(4)34-27-22(30)13-21(14-24(27)38)26-23(31)16-33-28(36-26)35-25-6-5-20(15-32-25)18(3)37-11-9-29(7-8-29)10-12-37/h5-6,11-14,17-18,32H,7-10,15-16H2,1-4H3,(H,33,34,36,37);3*5-6,11-14,17-18H,7-10,15-16H2,1-4H3,(H,32,33,35,36);2*5-6,13-18H,7-12H2,1-4H3,(H,32,33,35,36)/t;2*18-;;2*18-/m.10.10/s1
InChIKeyUBNJBYTYNJZLPK-SPUJJOIFSA-N
MW3168.78 g/mol
LogP36.94
Rot. Bonds36

About 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

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 (PubChem CID 161046172) has the molecular formula C174H199F12N43O3 and a molecular weight of 3168.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161046172
Molecular FormulaC174H199F12N43O3
Molecular Weight3168.78 g/mol
Exact Mass3166.65
IUPAC NameN-[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
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CC5)CC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C29H34F2N8.3C29H33F2N7O.2C29H33F2N7/c1-17(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;3*1-17(2)38-19(4)34-27-22(30)11-21(12-24(27)38)26-23(31)14-33-28(36-26)35-25-6-5-20(13-32-25)18(3)37-9-7-29(8-10-37)15-39-16-29;2*1-17(2)38-19(4)34-27-22(30)13-21(14-24(27)38)26-23(31)16-33-28(36-26)35-25-6-5-20(15-32-25)18(3)37-11-9-29(7-8-29)10-12-37/h5-6,11-14,17-18,32H,7-10,15-16H2,1-4H3,(H,33,34,36,37);3*5-6,11-14,17-18H,7-10,15-16H2,1-4H3,(H,32,33,35,36);2*5-6,13-18H,7-12H2,1-4H3,(H,32,33,35,36)/t;2*18-;;2*18-/m.10.10/s1
InChIKeyUBNJBYTYNJZLPK-SPUJJOIFSA-N
XLogP36.94
TPSA470.28 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003168.78
LogP ≤ 536.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-(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
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
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
[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
(S)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(1-propan-2-ylpiperidin-4-yl)methanol
CID 146603899
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CC5)CNC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CC5)CC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)CC6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)N5CCC6(CC5)COC6)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 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?
The InChIKey is UBNJBYTYNJZLPK-SPUJJOIFSA-N. The full InChI is InChI=1S/C29H34F2N8.3C29H33F2N7O.2C29H33F2N7/c1-17(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;3*1-17(2)38-19(4)34-27-22(30)11-21(12-24(27)38)26-23(31)14-33-28(36-26)35-25-6-5-20(13-32-25)18(3)37-9-7-29(8-10-37)15-39-16-29;2*1-17(2)38-19(4)34-27-22(30)13-21(14-24(27)38)26-23(31)16-33-28(36-26)35-25-6-5-20(15-32-25)18(3)37-11-9-29(7-8-29)10-12-37/h5-6,11-14,17-18,32H,7-10,15-16H2,1-4H3,(H,33,34,36,37);3*5-6,11-14,17-18H,7-10,15-16H2,1-4H3,(H,32,33,35,36);2*5-6,13-18H,7-12H2,1-4H3,(H,32,33,35,36)/t;2*18-;;2*18-/m.10.10/s1.
What are the key properties of 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?
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 has a molecular weight of 3168.78 g/mol, XLogP of 36.94, 36 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161046172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).