1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide

C124H146F10N32O8 — CID 165082595

IUPAC1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide
SMILESCCN(CC)C(=O)C[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(CN5CCO[C@](C)(CC(=O)N(C)C)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CC(=O)N6CC(F)(F)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CC(=O)N6CCC6)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C32H40F2N8O2.C31H34F4N8O2.C31H36F2N8O2.C30H36F2N8O2/c1-7-41(8-2)28(43)15-32(6)19-40(11-12-44-32)18-22-9-10-27(35-16-22)38-31-36-17-25(34)29(39-31)23-13-24(33)30-26(14-23)42(20(3)4)21(5)37-30;1-18(2)43-19(3)38-28-22(32)9-21(10-24(28)43)27-23(33)13-37-29(40-27)39-25-6-5-20(12-36-25)14-41-7-8-45-30(4,15-41)11-26(44)42-16-31(34,35)17-42;1-19(2)41-20(3)36-29-23(32)12-22(13-25(29)41)28-24(33)16-35-30(38-28)37-26-7-6-21(15-34-26)17-39-10-11-43-31(4,18-39)14-27(42)40-8-5-9-40;1-18(2)40-19(3)35-28-22(31)11-21(12-24(28)40)27-23(32)15-34-29(37-27)36-25-8-7-20(14-33-25)16-39-9-10-42-30(4,17-39)13-26(41)38(5)6/h9-10,13-14,16-17,20H,7-8,11-12,15,18-19H2,1-6H3,(H,35,36,38,39);5-6,9-10,12-13,18H,7-8,11,14-17H2,1-4H3,(H,36,37,39,40);6-7,12-13,15-16,19H,5,8-11,14,17-18H2,1-4H3,(H,34,35,37,38);7-8,11-12,14-15,18H,9-10,13,16-17H2,1-6H3,(H,33,34,36,37)/t32-;30-;31-;30-/m1111/s1
InChIKeyVJCNPSZHHUYTMP-LGJDPTOVSA-N
MW2402.73 g/mol
LogP20.79
Rot. Bonds34

About 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide

1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide (PubChem CID 165082595) has the molecular formula C124H146F10N32O8 and a molecular weight of 2402.73 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide.

Molecular Properties

Compound Name1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide
PubChem CID165082595
Molecular FormulaC124H146F10N32O8
Molecular Weight2402.73 g/mol
Exact Mass2401.18
IUPAC Name1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide
SMILESCCN(CC)C(=O)C[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(CN5CCO[C@](C)(CC(=O)N(C)C)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CC(=O)N6CC(F)(F)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CC(=O)N6CCC6)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C32H40F2N8O2.C31H34F4N8O2.C31H36F2N8O2.C30H36F2N8O2/c1-7-41(8-2)28(43)15-32(6)19-40(11-12-44-32)18-22-9-10-27(35-16-22)38-31-36-17-25(34)29(39-31)23-13-24(33)30-26(14-23)42(20(3)4)21(5)37-30;1-18(2)43-19(3)38-28-22(32)9-21(10-24(28)43)27-23(33)13-37-29(40-27)39-25-6-5-20(12-36-25)14-41-7-8-45-30(4,15-41)11-26(44)42-16-31(34,35)17-42;1-19(2)41-20(3)36-29-23(32)12-22(13-25(29)41)28-24(33)16-35-30(38-28)37-26-7-6-21(15-34-26)17-39-10-11-43-31(4,18-39)14-27(42)40-8-5-9-40;1-18(2)40-19(3)35-28-22(31)11-21(12-24(28)40)27-23(32)15-34-29(37-27)36-25-8-7-20(14-33-25)16-39-9-10-42-30(4,17-39)13-26(41)38(5)6/h9-10,13-14,16-17,20H,7-8,11-12,15,18-19H2,1-6H3,(H,35,36,38,39);5-6,9-10,12-13,18H,7-8,11,14-17H2,1-4H3,(H,36,37,39,40);6-7,12-13,15-16,19H,5,8-11,14,17-18H2,1-4H3,(H,34,35,37,38);7-8,11-12,14-15,18H,9-10,13,16-17H2,1-6H3,(H,33,34,36,37)/t32-;30-;31-;30-/m1111/s1
InChIKeyVJCNPSZHHUYTMP-LGJDPTOVSA-N
XLogP20.79
TPSA405.20 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002402.73
LogP ≤ 520.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[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]ethyl]-N-methylacetamide
CID 146327208
methyl (5S)-9-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 146327218
tert-butyl (5S)-9-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 146327226
tert-butyl (5R)-9-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 146327227
methyl (5R)-9-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 146327229
1-[(5S)-9-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 146327231
1-(3,3-difluoroazetidin-1-yl)-2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]-2-methylmorpholin-2-yl]ethanone
CID 146327240
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
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]-1-pyrrolidin-1-ylethanone
CID 146327242
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,N-dimethylacetamide
CID 146327243
N,N-diethyl-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]acetamide
CID 146327244
1-(azetidin-1-yl)-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]ethanone
CID 146327245

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide?
The IUPAC name of 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide (CID 165082595) is 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide.
What is the SMILES notation for 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide?
The canonical SMILES for 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide is CCN(CC)C(=O)C[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(CN5CCO[C@](C)(CC(=O)N(C)C)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CC(=O)N6CC(F)(F)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CC(=O)N6CCC6)C5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide?
The InChIKey is VJCNPSZHHUYTMP-LGJDPTOVSA-N. The full InChI is InChI=1S/C32H40F2N8O2.C31H34F4N8O2.C31H36F2N8O2.C30H36F2N8O2/c1-7-41(8-2)28(43)15-32(6)19-40(11-12-44-32)18-22-9-10-27(35-16-22)38-31-36-17-25(34)29(39-31)23-13-24(33)30-26(14-23)42(20(3)4)21(5)37-30;1-18(2)43-19(3)38-28-22(32)9-21(10-24(28)43)27-23(33)13-37-29(40-27)39-25-6-5-20(12-36-25)14-41-7-8-45-30(4,15-41)11-26(44)42-16-31(34,35)17-42;1-19(2)41-20(3)36-29-23(32)12-22(13-25(29)41)28-24(33)16-35-30(38-28)37-26-7-6-21(15-34-26)17-39-10-11-43-31(4,18-39)14-27(42)40-8-5-9-40;1-18(2)40-19(3)35-28-22(31)11-21(12-24(28)40)27-23(32)15-34-29(37-27)36-25-8-7-20(14-33-25)16-39-9-10-42-30(4,17-39)13-26(41)38(5)6/h9-10,13-14,16-17,20H,7-8,11-12,15,18-19H2,1-6H3,(H,35,36,38,39);5-6,9-10,12-13,18H,7-8,11,14-17H2,1-4H3,(H,36,37,39,40);6-7,12-13,15-16,19H,5,8-11,14,17-18H2,1-4H3,(H,34,35,37,38);7-8,11-12,14-15,18H,9-10,13,16-17H2,1-6H3,(H,33,34,36,37)/t32-;30-;31-;30-/m1111/s1.
What are the key properties of 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide?
1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide has a molecular weight of 2402.73 g/mol, XLogP of 20.79, 34 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-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]ethanone;N,N-diethyl-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]acetamide;1-(3,3-difluoroazetidin-1-yl)-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]ethanone;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,N-dimethylacetamide is sourced from PubChem (CID 165082595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).