5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

C134H178F11N25O16S6 — CID 157281921

IUPAC5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CC(C)(F)C3)c(C(F)(F)F)c2)s1.Cc1cc(NC2CC3(C2)CC(C)(F)C3)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)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C28H37F2N5O3S.C28H39N5O4S2.C27H37F2N5O3S.C26H35F2N5O3S.C25H30F5N5O3S/c1-16-9-20(33-18-10-28(11-18)13-27(4,30)14-28)31-12-19(16)22-21(25(37)35-7-5-17(29)6-8-35)34-24(39-22)23(36)32-15-26(2,3)38;1-18-16-23(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;1-15-10-19(31-17-8-6-5-7-9-17)29-12-18(15)21-20(24(35)33-14-26(27,28)11-16(33)2)32-23(37-21)22(34)30-13-25(3,4)36;1-23(2,38)12-32-20(36)21-34-17(22(37)35-6-4-14(26)5-7-35)18(39-21)13-8-16(25(28,29)30)19(31-11-13)33-15-9-24(3,27)10-15/h9,12,17-18,38H,5-8,10-11,13-15H2,1-4H3,(H,31,33)(H,32,36);16-17,19-21H,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);10,12,16-17,36H,5-9,11,13-14H2,1-4H3,(H,29,31)(H,30,34);8,11,14-15,38H,4-7,9-10,12H2,1-3H3,(H,31,33)(H,32,36)/t;19-;;16-;/m.0.0./s1
InChIKeyAZTMUTOQOABLPE-CQMNSYDCSA-N
MW2796.44 g/mol
LogP23.15
Rot. Bonds34

About 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 157281921) has the molecular formula C134H178F11N25O16S6 and a molecular weight of 2796.44 g/mol. Its IUPAC name is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID157281921
Molecular FormulaC134H178F11N25O16S6
Molecular Weight2796.44 g/mol
Exact Mass2794.20
IUPAC Name5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CC(C)(F)C3)c(C(F)(F)F)c2)s1.Cc1cc(NC2CC3(C2)CC(C)(F)C3)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)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C28H37F2N5O3S.C28H39N5O4S2.C27H37F2N5O3S.C26H35F2N5O3S.C25H30F5N5O3S/c1-16-9-20(33-18-10-28(11-18)13-27(4,30)14-28)31-12-19(16)22-21(25(37)35-7-5-17(29)6-8-35)34-24(39-22)23(36)32-15-26(2,3)38;1-18-16-23(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;1-15-10-19(31-17-8-6-5-7-9-17)29-12-18(15)21-20(24(35)33-14-26(27,28)11-16(33)2)32-23(37-21)22(34)30-13-25(3,4)36;1-23(2,38)12-32-20(36)21-34-17(22(37)35-6-4-14(26)5-7-35)18(39-21)13-8-16(25(28,29)30)19(31-11-13)33-15-9-24(3,27)10-15/h9,12,17-18,38H,5-8,10-11,13-15H2,1-4H3,(H,31,33)(H,32,36);16-17,19-21H,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);10,12,16-17,36H,5-9,11,13-14H2,1-4H3,(H,29,31)(H,30,34);8,11,14-15,38H,4-7,9-10,12H2,1-3H3,(H,31,33)(H,32,36)/t;19-;;16-;/m.0.0./s1
InChIKeyAZTMUTOQOABLPE-CQMNSYDCSA-N
XLogP23.15
TPSA551.16 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002796.44
LogP ≤ 523.15
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (CID 157281921) is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CC(C)(F)C3)c(C(F)(F)F)c2)s1.Cc1cc(NC2CC3(C2)CC(C)(F)C3)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)nc1C(=O)N1CC(F)(F)C[C@@H]1C.
What is the InChIKey of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is AZTMUTOQOABLPE-CQMNSYDCSA-N. The full InChI is InChI=1S/C28H37F2N5O3S.C28H39N5O4S2.C27H37F2N5O3S.C26H35F2N5O3S.C25H30F5N5O3S/c1-16-9-20(33-18-10-28(11-18)13-27(4,30)14-28)31-12-19(16)22-21(25(37)35-7-5-17(29)6-8-35)34-24(39-22)23(36)32-15-26(2,3)38;1-18-16-23(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;1-15-10-19(31-17-8-6-5-7-9-17)29-12-18(15)21-20(24(35)33-14-26(27,28)11-16(33)2)32-23(37-21)22(34)30-13-25(3,4)36;1-23(2,38)12-32-20(36)21-34-17(22(37)35-6-4-14(26)5-7-35)18(39-21)13-8-16(25(28,29)30)19(31-11-13)33-15-9-24(3,27)10-15/h9,12,17-18,38H,5-8,10-11,13-15H2,1-4H3,(H,31,33)(H,32,36);16-17,19-21H,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);10,12,16-17,36H,5-9,11,13-14H2,1-4H3,(H,29,31)(H,30,34);8,11,14-15,38H,4-7,9-10,12H2,1-3H3,(H,31,33)(H,32,36)/t;19-;;16-;/m.0.0./s1.
What are the key properties of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 2796.44 g/mol, XLogP of 23.15, 34 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-methylpyrrolidine-1-carbonyl]-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-fluoro-3-methylcyclobutyl)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;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157281921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).