N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol

C118H144F8N30O5 — CID 164957281

IUPACN-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol
SMILESCCCC[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCOC(C)(CC(C)N(C)C)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@@]6(CCN(C)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCO)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C31H40F2N8O.C30H37F2N7O.C29H34F2N8O.C28H33F2N7O2/c1-19(2)41-21(4)36-29-24(32)12-23(13-26(29)41)28-25(33)16-35-30(38-28)37-27-9-8-22(15-34-27)17-40-10-11-42-31(5,18-40)14-20(3)39(6)7;1-6-7-10-30(5)18-38(11-12-40-30)17-21-8-9-26(33-15-21)36-29-34-16-24(32)27(37-29)22-13-23(31)28-25(14-22)39(19(2)3)20(4)35-28;1-18(2)39-19(3)34-27-22(30)11-21(12-24(27)39)26-23(31)14-33-28(36-26)35-25-6-5-20(13-32-25)15-38-9-10-40-29(17-38)7-8-37(4)16-29;1-17(2)37-18(3)33-26-21(29)11-20(12-23(26)37)25-22(30)14-32-27(35-25)34-24-6-5-19(13-31-24)15-36-8-10-39-28(4,16-36)7-9-38/h8-9,12-13,15-16,19-20H,10-11,14,17-18H2,1-7H3,(H,34,35,37,38);8-9,13-16,19H,6-7,10-12,17-18H2,1-5H3,(H,33,34,36,37);5-6,11-14,18H,7-10,15-17H2,1-4H3,(H,32,33,35,36);5-6,11-14,17,38H,7-10,15-16H2,1-4H3,(H,31,32,34,35)/t;30-;29-;28-/m.111/s1
InChIKeyBIQJPSMMUPZFFI-SJVZSEDGSA-N
MW2214.64 g/mol
LogP21.79
Rot. Bonds32

About N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol

N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol (PubChem CID 164957281) has the molecular formula C118H144F8N30O5 and a molecular weight of 2214.64 g/mol. Its IUPAC name is N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol.

Molecular Properties

Compound NameN-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol
PubChem CID164957281
Molecular FormulaC118H144F8N30O5
Molecular Weight2214.64 g/mol
Exact Mass2213.18
IUPAC NameN-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol
SMILESCCCC[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCOC(C)(CC(C)N(C)C)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@@]6(CCN(C)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCO)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C31H40F2N8O.C30H37F2N7O.C29H34F2N8O.C28H33F2N7O2/c1-19(2)41-21(4)36-29-24(32)12-23(13-26(29)41)28-25(33)16-35-30(38-28)37-27-9-8-22(15-34-27)17-40-10-11-42-31(5,18-40)14-20(3)39(6)7;1-6-7-10-30(5)18-38(11-12-40-30)17-21-8-9-26(33-15-21)36-29-34-16-24(32)27(37-29)22-13-23(31)28-25(14-22)39(19(2)3)20(4)35-28;1-18(2)39-19(3)34-27-22(30)11-21(12-24(27)39)26-23(31)14-33-28(36-26)35-25-6-5-20(13-32-25)15-38-9-10-40-29(17-38)7-8-37(4)16-29;1-17(2)37-18(3)33-26-21(29)11-20(12-23(26)37)25-22(30)14-32-27(35-25)34-24-6-5-19(13-31-24)15-36-8-10-39-28(4,16-36)7-9-38/h8-9,12-13,15-16,19-20H,10-11,14,17-18H2,1-7H3,(H,34,35,37,38);8-9,13-16,19H,6-7,10-12,17-18H2,1-5H3,(H,33,34,36,37);5-6,11-14,18H,7-10,15-17H2,1-4H3,(H,32,33,35,36);5-6,11-14,17,38H,7-10,15-16H2,1-4H3,(H,31,32,34,35)/t;30-;29-;28-/m.111/s1
InChIKeyBIQJPSMMUPZFFI-SJVZSEDGSA-N
XLogP21.79
TPSA350.67 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002214.64
LogP ≤ 521.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol
CID 146327236
[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]methanol
CID 146327353
N-[5-[[2-[2-(tert-butylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 164723639
2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]acetic acid
CID 175120001
2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide
CID 146327241
methyl (6S)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate;molecular hydrogen
CID 153398790
N-[5-[[(2R)-2-[2-(2,2-difluoroethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-5-methylpyrimidin-2-amine
CID 146327477
2-[2-ethyl-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]morpholin-2-yl]acetaldehyde
CID 175120707
N-[5-[(2-ethyl-2-prop-2-enylmorpholin-4-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 164723647
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 146327228
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(piperidin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 145006854
N-[5-[[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118860067

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol?
The IUPAC name of N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol (CID 164957281) is N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol.
What is the SMILES notation for N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol?
The canonical SMILES for N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol is CCCC[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCOC(C)(CC(C)N(C)C)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@@]6(CCN(C)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCO)C5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol?
The InChIKey is BIQJPSMMUPZFFI-SJVZSEDGSA-N. The full InChI is InChI=1S/C31H40F2N8O.C30H37F2N7O.C29H34F2N8O.C28H33F2N7O2/c1-19(2)41-21(4)36-29-24(32)12-23(13-26(29)41)28-25(33)16-35-30(38-28)37-27-9-8-22(15-34-27)17-40-10-11-42-31(5,18-40)14-20(3)39(6)7;1-6-7-10-30(5)18-38(11-12-40-30)17-21-8-9-26(33-15-21)36-29-34-16-24(32)27(37-29)22-13-23(31)28-25(14-22)39(19(2)3)20(4)35-28;1-18(2)39-19(3)34-27-22(30)11-21(12-24(27)39)26-23(31)14-33-28(36-26)35-25-6-5-20(13-32-25)15-38-9-10-40-29(17-38)7-8-37(4)16-29;1-17(2)37-18(3)33-26-21(29)11-20(12-23(26)37)25-22(30)14-32-27(35-25)34-24-6-5-19(13-31-24)15-36-8-10-39-28(4,16-36)7-9-38/h8-9,12-13,15-16,19-20H,10-11,14,17-18H2,1-7H3,(H,34,35,37,38);8-9,13-16,19H,6-7,10-12,17-18H2,1-5H3,(H,33,34,36,37);5-6,11-14,18H,7-10,15-17H2,1-4H3,(H,32,33,35,36);5-6,11-14,17,38H,7-10,15-16H2,1-4H3,(H,31,32,34,35)/t;30-;29-;28-/m.111/s1.
What are the key properties of N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol?
N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol has a molecular weight of 2214.64 g/mol, XLogP of 21.79, 32 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R)-2-butyl-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[2-[2-(dimethylamino)propyl]-2-methylmorpholin-4-yl]methyl]-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-[[(5R)-2-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethanol is sourced from PubChem (CID 164957281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).