5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C130H176F11N25O15S6 — CID 157229357

IUPAC5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCC(F)(F)C3)c(C(F)(F)F)c2)s1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCC(C)(F)CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1CN1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C28H39N5O4S2.C27H37F2N5O3S.C26H31F6N5O3S.C26H37F2N5O2S.C23H32FN5O3S/c1-18-16-23(30-20-9-4-3-5-10-20)29-17-22(18)25-24(28(35)33-13-7-6-8-19(33)2)32-27(38-25)26(34)31-21-11-14-39(36,37)15-12-21;1-16-13-20(32-18-5-9-27(4,29)10-6-18)30-14-19(16)22-21(25(36)34-11-7-17(28)8-12-34)33-24(38-22)23(35)31-15-26(2,3)37;1-24(2,40)13-34-21(38)22-36-18(23(39)37-8-5-15(27)6-9-37)19(41-22)14-10-17(26(30,31)32)20(33-12-14)35-16-4-3-7-25(28,29)11-16;1-16-10-21(31-18-8-6-5-7-9-18)29-12-19(16)22-20(13-33-15-26(27,28)11-17(33)2)32-24(36-22)23(34)30-14-25(3,4)35;1-13(2)27-17-10-14(3)16(11-25-17)19-18(22(31)29-8-6-15(24)7-9-29)28-21(33-19)20(30)26-12-23(4,5)32/h16-17,19-21H,3-15H2,1-2H3,(H,29,30)(H,31,34);13-14,17-18,37H,5-12,15H2,1-4H3,(H,30,32)(H,31,35);10,12,15-16,40H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38);10,12,17-18,35H,5-9,11,13-15H2,1-4H3,(H,29,31)(H,30,34);10-11,13,15,32H,6-9,12H2,1-5H3,(H,25,27)(H,26,30)/t19-;;;17-;/m0..0./s1
InChIKeyATXQXXRIVSKVNE-QTVDCRJYSA-N
MW2730.38 g/mol
LogP22.94
Rot. Bonds35

About 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 157229357) has the molecular formula C130H176F11N25O15S6 and a molecular weight of 2730.38 g/mol. Its IUPAC name is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID157229357
Molecular FormulaC130H176F11N25O15S6
Molecular Weight2730.38 g/mol
Exact Mass2728.19
IUPAC Name5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCC(F)(F)C3)c(C(F)(F)F)c2)s1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCC(C)(F)CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1CN1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C28H39N5O4S2.C27H37F2N5O3S.C26H31F6N5O3S.C26H37F2N5O2S.C23H32FN5O3S/c1-18-16-23(30-20-9-4-3-5-10-20)29-17-22(18)25-24(28(35)33-13-7-6-8-19(33)2)32-27(38-25)26(34)31-21-11-14-39(36,37)15-12-21;1-16-13-20(32-18-5-9-27(4,29)10-6-18)30-14-19(16)22-21(25(36)34-11-7-17(28)8-12-34)33-24(38-22)23(35)31-15-26(2,3)37;1-24(2,40)13-34-21(38)22-36-18(23(39)37-8-5-15(27)6-9-37)19(41-22)14-10-17(26(30,31)32)20(33-12-14)35-16-4-3-7-25(28,29)11-16;1-16-10-21(31-18-8-6-5-7-9-18)29-12-19(16)22-20(13-33-15-26(27,28)11-17(33)2)32-24(36-22)23(34)30-14-25(3,4)35;1-13(2)27-17-10-14(3)16(11-25-17)19-18(22(31)29-8-6-15(24)7-9-29)28-21(33-19)20(30)26-12-23(4,5)32/h16-17,19-21H,3-15H2,1-2H3,(H,29,30)(H,31,34);13-14,17-18,37H,5-12,15H2,1-4H3,(H,30,32)(H,31,35);10,12,15-16,40H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38);10,12,17-18,35H,5-9,11,13-15H2,1-4H3,(H,29,31)(H,30,34);10-11,13,15,32H,6-9,12H2,1-5H3,(H,25,27)(H,26,30)/t19-;;;17-;/m0..0./s1
InChIKeyATXQXXRIVSKVNE-QTVDCRJYSA-N
XLogP22.94
TPSA534.09 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002730.38
LogP ≤ 522.94
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US10975068, Example 154
CID 132057355
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]pyridin-3-yl]-1,3-thiazole-2-carboxamide
CID 132068554
CID 157050633
CID 157050633
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methylbutyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 157051928
CID 157058098
CID 157058098
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157059046
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157062011
CID 157075949
CID 157075949
CID 157080629
CID 157080629
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(3-hydroxycyclobutyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157100536
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
CID 157120475
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
CID 157125696

Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 157229357) is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCC(F)(F)C3)c(C(F)(F)F)c2)s1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCC(C)(F)CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1CN1CC(F)(F)C[C@@H]1C.
What is the InChIKey of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ATXQXXRIVSKVNE-QTVDCRJYSA-N. The full InChI is InChI=1S/C28H39N5O4S2.C27H37F2N5O3S.C26H31F6N5O3S.C26H37F2N5O2S.C23H32FN5O3S/c1-18-16-23(30-20-9-4-3-5-10-20)29-17-22(18)25-24(28(35)33-13-7-6-8-19(33)2)32-27(38-25)26(34)31-21-11-14-39(36,37)15-12-21;1-16-13-20(32-18-5-9-27(4,29)10-6-18)30-14-19(16)22-21(25(36)34-11-7-17(28)8-12-34)33-24(38-22)23(35)31-15-26(2,3)37;1-24(2,40)13-34-21(38)22-36-18(23(39)37-8-5-15(27)6-9-37)19(41-22)14-10-17(26(30,31)32)20(33-12-14)35-16-4-3-7-25(28,29)11-16;1-16-10-21(31-18-8-6-5-7-9-18)29-12-19(16)22-20(13-33-15-26(27,28)11-17(33)2)32-24(36-22)23(34)30-14-25(3,4)35;1-13(2)27-17-10-14(3)16(11-25-17)19-18(22(31)29-8-6-15(24)7-9-29)28-21(33-19)20(30)26-12-23(4,5)32/h16-17,19-21H,3-15H2,1-2H3,(H,29,30)(H,31,34);13-14,17-18,37H,5-12,15H2,1-4H3,(H,30,32)(H,31,35);10,12,15-16,40H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38);10,12,17-18,35H,5-9,11,13-15H2,1-4H3,(H,29,31)(H,30,34);10-11,13,15,32H,6-9,12H2,1-5H3,(H,25,27)(H,26,30)/t19-;;;17-;/m0..0./s1.
What are the key properties of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2730.38 g/mol, XLogP of 22.94, 35 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157229357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).