N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

C173H191F21N42O2 — CID 160696187

IUPACN-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCN1CCC(=Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=C5CCN(C6CC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=C5CCN(CCO)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/3C29H32F5N7.C29H33F2N7O.C29H31F2N7.C28H31F2N7O/c3*1-16(2)41-18(4)37-27-22(30)11-21(12-24(27)41)26-23(31)14-36-28(39-26)38-25-6-5-20(13-35-25)17(3)19-7-9-40(10-8-19)15-29(32,33)34;1-18(2)38-19(3)34-28-23(30)14-22(15-25(28)38)27-24(31)17-33-29(36-27)35-26-6-5-21(16-32-26)13-20-7-9-37(10-8-20)11-12-39-4;1-17(2)38-18(3)34-28-23(30)13-21(14-25(28)38)27-24(31)16-33-29(36-27)35-26-7-4-20(15-32-26)12-19-8-10-37(11-9-19)22-5-6-22;1-17(2)37-18(3)33-27-22(29)13-21(14-24(27)37)26-23(30)16-32-28(35-26)34-25-5-4-20(15-31-25)12-19-6-8-36(9-7-19)10-11-38/h3*5-6,11-14,16-17,19H,7-10,15H2,1-4H3,(H,35,36,38,39);5-6,13-18H,7-12H2,1-4H3,(H,32,33,35,36);4,7,12-17,22H,5-6,8-11H2,1-3H3,(H,32,33,35,36);4-5,12-17,38H,6-11H2,1-3H3,(H,31,32,34,35)/t2*17-;;;;/m10..../s1
InChIKeyRQAJPFNDJVEVRI-BYQNJDFCSA-N
MW3289.68 g/mol
LogP39.17
Rot. Bonds42

About N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 160696187) has the molecular formula C173H191F21N42O2 and a molecular weight of 3289.68 g/mol. Its IUPAC name is N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID160696187
Molecular FormulaC173H191F21N42O2
Molecular Weight3289.68 g/mol
Exact Mass3287.58
IUPAC NameN-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCN1CCC(=Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=C5CCN(C6CC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=C5CCN(CCO)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/3C29H32F5N7.C29H33F2N7O.C29H31F2N7.C28H31F2N7O/c3*1-16(2)41-18(4)37-27-22(30)11-21(12-24(27)41)26-23(31)14-36-28(39-26)38-25-6-5-20(13-35-25)17(3)19-7-9-40(10-8-19)15-29(32,33)34;1-18(2)38-19(3)34-28-23(30)14-22(15-25(28)38)27-24(31)17-33-29(36-27)35-26-6-5-21(16-32-26)13-20-7-9-37(10-8-20)11-12-39-4;1-17(2)38-18(3)34-28-23(30)13-21(14-25(28)38)27-24(31)16-33-29(36-27)35-26-7-4-20(15-32-26)12-19-8-10-37(11-9-19)22-5-6-22;1-17(2)37-18(3)33-27-22(29)13-21(14-24(27)37)26-23(30)16-32-28(35-26)34-25-5-4-20(15-31-25)12-19-6-8-36(9-7-19)10-11-38/h3*5-6,11-14,16-17,19H,7-10,15H2,1-4H3,(H,35,36,38,39);5-6,13-18H,7-12H2,1-4H3,(H,32,33,35,36);4,7,12-17,22H,5-6,8-11H2,1-3H3,(H,32,33,35,36);4-5,12-17,38H,6-11H2,1-3H3,(H,31,32,34,35)/t2*17-;;;;/m10..../s1
InChIKeyRQAJPFNDJVEVRI-BYQNJDFCSA-N
XLogP39.17
TPSA460.02 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003289.68
LogP ≤ 539.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[1-(2-methoxyethyl)piperidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 124114583
US11053238, Com. EX. 5
CID 135182139
US11053238, Example 16b
CID 162678193
5-fluoro-4-[(4R)-9-fluoro-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 162678194
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-[(4R)-9-fluoro-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl]pyrimidin-2-amine
CID 162678195
5-fluoro-4-[(4S)-9-fluoro-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 162678198
Abemaciclib metabolite M20
CID 139600311
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-morpholin-4-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 146327209
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 146327255
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 146327261
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 146327262
5-fluoro-6-[(2R,5S)-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[2-(4-phenylpiperidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630198

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (CID 160696187) is N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is COCCN1CCC(=Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=C5CCN(C6CC6)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=C5CCN(CCO)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@@H](C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](C)C5CCN(CC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is RQAJPFNDJVEVRI-BYQNJDFCSA-N. The full InChI is InChI=1S/3C29H32F5N7.C29H33F2N7O.C29H31F2N7.C28H31F2N7O/c3*1-16(2)41-18(4)37-27-22(30)11-21(12-24(27)41)26-23(31)14-36-28(39-26)38-25-6-5-20(13-35-25)17(3)19-7-9-40(10-8-19)15-29(32,33)34;1-18(2)38-19(3)34-28-23(30)14-22(15-25(28)38)27-24(31)17-33-29(36-27)35-26-6-5-21(16-32-26)13-20-7-9-37(10-8-20)11-12-39-4;1-17(2)38-18(3)34-28-23(30)13-21(14-25(28)38)27-24(31)16-33-29(36-27)35-26-7-4-20(15-32-26)12-19-8-10-37(11-9-19)22-5-6-22;1-17(2)37-18(3)33-27-22(29)13-21(14-24(27)37)26-23(30)16-32-28(35-26)34-25-5-4-20(15-31-25)12-19-6-8-36(9-7-19)10-11-38/h3*5-6,11-14,16-17,19H,7-10,15H2,1-4H3,(H,35,36,38,39);5-6,13-18H,7-12H2,1-4H3,(H,32,33,35,36);4,7,12-17,22H,5-6,8-11H2,1-3H3,(H,32,33,35,36);4-5,12-17,38H,6-11H2,1-3H3,(H,31,32,34,35)/t2*17-;;;;/m10..../s1.
What are the key properties of N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3289.68 g/mol, XLogP of 39.17, 42 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-cyclopropylpiperidin-4-ylidene)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-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 160696187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).