1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

C300H342ClF5N94O29S2 — CID 162156286

IUPAC1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cc(F)cc(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cnc4ccccc43)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3nccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(Cl)c(NC(C)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(F)c(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(N3CCCC3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C29H30N8O2.C26H27F3N8O2.C26H30N8O2.C26H33N7O2.3C25H28N8O2.C24H28ClN7O3.2C24H27N9O2.2C23H28FN7O4S/c1-31-18-29(37-17-23(26(30)38)27(34-37)33-28(39)21-8-9-21)12-14-35(15-13-29)16-20-6-10-22(11-7-20)36-19-32-24-4-2-3-5-25(24)36;1-31-16-25(37-15-20(22(30)38)23(34-37)32-24(39)19-6-7-19)9-12-35(13-10-25)14-17-2-4-18(5-3-17)21-8-11-36(33-21)26(27,28)29;1-28-17-26(34-16-21(23(27)35)24(31-34)29-25(36)20-7-8-20)10-13-33(14-11-26)15-18-3-5-19(6-4-18)22-9-12-32(2)30-22;1-28-18-26(33-17-22(23(27)34)24(30-33)29-25(35)20-6-7-20)10-14-31(15-11-26)16-19-4-8-21(9-5-19)32-12-2-3-13-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-5-6-19)9-13-31(14-10-25)15-18-3-7-20(8-4-18)32-12-2-11-28-32;1-27-16-25(33-15-21(22(26)34)23(30-33)29-24(35)19-4-5-19)8-11-31(12-9-25)14-18-2-6-20(7-3-18)32-13-10-28-17-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-7-8-19)9-11-31(12-10-25)14-18-13-28-32(15-18)20-5-3-2-4-6-20;1-15(33)28-20-11-16(3-6-19(20)25)12-31-9-7-24(8-10-31,14-27-2)32-13-18(21(26)34)22(30-32)29-23(35)17-4-5-17;1-26-16-24(32-15-20(21(25)34)22(30-32)29-23(35)18-4-5-18)8-12-31(13-9-24)14-17-2-6-19(7-3-17)33-27-10-11-28-33;1-26-14-24(33-13-20(21(25)34)22(30-33)29-23(35)18-4-5-18)8-10-31(11-9-24)12-17-2-6-19(7-3-17)32-16-27-15-28-32;1-26-14-23(31-13-17(20(25)32)21(28-31)27-22(33)16-4-5-16)7-9-30(10-8-23)12-15-3-6-18(24)19(11-15)29-36(2,34)35;1-26-14-23(31-13-19(20(25)32)21(28-31)27-22(33)16-3-4-16)5-7-30(8-6-23)12-15-9-17(24)11-18(10-15)29-36(2,34)35/h2-7,10-11,17,19,21H,8-9,12-16,18H2,(H2,30,38)(H,33,34,39);2-5,8,11,15,19H,6-7,9-10,12-14,16H2,(H2,30,38)(H,32,34,39);3-6,9,12,16,20H,7-8,10-11,13-15,17H2,2H3,(H2,27,35)(H,29,31,36);4-5,8-9,17,20H,2-3,6-7,10-16,18H2,(H2,27,34)(H,29,30,35);2-4,7-8,11-12,16,19H,5-6,9-10,13-15,17H2,(H2,26,34)(H,29,30,35);2-3,6-7,10,13,15,17,19H,4-5,8-9,11-12,14,16H2,(H2,26,34)(H,29,30,35);2-6,13,15-16,19H,7-12,14,17H2,(H2,26,34)(H,29,30,35);3,6,11,13,17H,4-5,7-10,12,14H2,1H3,(H2,26,34)(H,28,33)(H,29,30,35);2-3,6-7,10-11,15,18H,4-5,8-9,12-14,16H2,(H2,25,34)(H,29,30,35);2-3,6-7,13,15-16,18H,4-5,8-12,14H2,(H2,25,34)(H,29,30,35);3,6,11,13,16,29H,4-5,7-10,12,14H2,2H3,(H2,25,32)(H,27,28,33);9-11,13,16,29H,3-8,12,14H2,2H3,(H2,25,32)(H,27,28,33)
InChIKeyZLWFQNUZEMLTPE-UHFFFAOYSA-N
MW5923.24 g/mol
LogP29.92
Rot. Bonds98

About 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 162156286) has the molecular formula C300H342ClF5N94O29S2 and a molecular weight of 5923.24 g/mol. Its IUPAC name is 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID162156286
Molecular FormulaC300H342ClF5N94O29S2
Molecular Weight5923.24 g/mol
Exact Mass5918.72
IUPAC Name1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cc(F)cc(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cnc4ccccc43)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3nccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(Cl)c(NC(C)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(F)c(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(N3CCCC3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C29H30N8O2.C26H27F3N8O2.C26H30N8O2.C26H33N7O2.3C25H28N8O2.C24H28ClN7O3.2C24H27N9O2.2C23H28FN7O4S/c1-31-18-29(37-17-23(26(30)38)27(34-37)33-28(39)21-8-9-21)12-14-35(15-13-29)16-20-6-10-22(11-7-20)36-19-32-24-4-2-3-5-25(24)36;1-31-16-25(37-15-20(22(30)38)23(34-37)32-24(39)19-6-7-19)9-12-35(13-10-25)14-17-2-4-18(5-3-17)21-8-11-36(33-21)26(27,28)29;1-28-17-26(34-16-21(23(27)35)24(31-34)29-25(36)20-7-8-20)10-13-33(14-11-26)15-18-3-5-19(6-4-18)22-9-12-32(2)30-22;1-28-18-26(33-17-22(23(27)34)24(30-33)29-25(35)20-6-7-20)10-14-31(15-11-26)16-19-4-8-21(9-5-19)32-12-2-3-13-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-5-6-19)9-13-31(14-10-25)15-18-3-7-20(8-4-18)32-12-2-11-28-32;1-27-16-25(33-15-21(22(26)34)23(30-33)29-24(35)19-4-5-19)8-11-31(12-9-25)14-18-2-6-20(7-3-18)32-13-10-28-17-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-7-8-19)9-11-31(12-10-25)14-18-13-28-32(15-18)20-5-3-2-4-6-20;1-15(33)28-20-11-16(3-6-19(20)25)12-31-9-7-24(8-10-31,14-27-2)32-13-18(21(26)34)22(30-32)29-23(35)17-4-5-17;1-26-16-24(32-15-20(21(25)34)22(30-32)29-23(35)18-4-5-18)8-12-31(13-9-24)14-17-2-6-19(7-3-17)33-27-10-11-28-33;1-26-14-24(33-13-20(21(25)34)22(30-33)29-23(35)18-4-5-18)8-10-31(11-9-24)12-17-2-6-19(7-3-17)32-16-27-15-28-32;1-26-14-23(31-13-17(20(25)32)21(28-31)27-22(33)16-4-5-16)7-9-30(10-8-23)12-15-3-6-18(24)19(11-15)29-36(2,34)35;1-26-14-23(31-13-19(20(25)32)21(28-31)27-22(33)16-3-4-16)5-7-30(8-6-23)12-15-9-17(24)11-18(10-15)29-36(2,34)35/h2-7,10-11,17,19,21H,8-9,12-16,18H2,(H2,30,38)(H,33,34,39);2-5,8,11,15,19H,6-7,9-10,12-14,16H2,(H2,30,38)(H,32,34,39);3-6,9,12,16,20H,7-8,10-11,13-15,17H2,2H3,(H2,27,35)(H,29,31,36);4-5,8-9,17,20H,2-3,6-7,10-16,18H2,(H2,27,34)(H,29,30,35);2-4,7-8,11-12,16,19H,5-6,9-10,13-15,17H2,(H2,26,34)(H,29,30,35);2-3,6-7,10,13,15,17,19H,4-5,8-9,11-12,14,16H2,(H2,26,34)(H,29,30,35);2-6,13,15-16,19H,7-12,14,17H2,(H2,26,34)(H,29,30,35);3,6,11,13,17H,4-5,7-10,12,14H2,1H3,(H2,26,34)(H,28,33)(H,29,30,35);2-3,6-7,10-11,15,18H,4-5,8-9,12-14,16H2,(H2,25,34)(H,29,30,35);2-3,6-7,13,15-16,18H,4-5,8-12,14H2,(H2,25,34)(H,29,30,35);3,6,11,13,16,29H,4-5,7-10,12,14H2,2H3,(H2,25,32)(H,27,28,33);9-11,13,16,29H,3-8,12,14H2,2H3,(H2,25,32)(H,27,28,33)
InChIKeyZLWFQNUZEMLTPE-UHFFFAOYSA-N
XLogP29.92
TPSA1464.34 Ų
H-Bond Donors27
H-Bond Acceptors84
Rotatable Bonds98
Heavy Atoms431
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005923.24
LogP ≤ 529.92
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1084

Analyze 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 162156286) is 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cc(F)cc(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cnc4ccccc43)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3nccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(Cl)c(NC(C)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(F)c(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(N3CCCC3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is ZLWFQNUZEMLTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2.C26H27F3N8O2.C26H30N8O2.C26H33N7O2.3C25H28N8O2.C24H28ClN7O3.2C24H27N9O2.2C23H28FN7O4S/c1-31-18-29(37-17-23(26(30)38)27(34-37)33-28(39)21-8-9-21)12-14-35(15-13-29)16-20-6-10-22(11-7-20)36-19-32-24-4-2-3-5-25(24)36;1-31-16-25(37-15-20(22(30)38)23(34-37)32-24(39)19-6-7-19)9-12-35(13-10-25)14-17-2-4-18(5-3-17)21-8-11-36(33-21)26(27,28)29;1-28-17-26(34-16-21(23(27)35)24(31-34)29-25(36)20-7-8-20)10-13-33(14-11-26)15-18-3-5-19(6-4-18)22-9-12-32(2)30-22;1-28-18-26(33-17-22(23(27)34)24(30-33)29-25(35)20-6-7-20)10-14-31(15-11-26)16-19-4-8-21(9-5-19)32-12-2-3-13-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-5-6-19)9-13-31(14-10-25)15-18-3-7-20(8-4-18)32-12-2-11-28-32;1-27-16-25(33-15-21(22(26)34)23(30-33)29-24(35)19-4-5-19)8-11-31(12-9-25)14-18-2-6-20(7-3-18)32-13-10-28-17-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-7-8-19)9-11-31(12-10-25)14-18-13-28-32(15-18)20-5-3-2-4-6-20;1-15(33)28-20-11-16(3-6-19(20)25)12-31-9-7-24(8-10-31,14-27-2)32-13-18(21(26)34)22(30-32)29-23(35)17-4-5-17;1-26-16-24(32-15-20(21(25)34)22(30-32)29-23(35)18-4-5-18)8-12-31(13-9-24)14-17-2-6-19(7-3-17)33-27-10-11-28-33;1-26-14-24(33-13-20(21(25)34)22(30-33)29-23(35)18-4-5-18)8-10-31(11-9-24)12-17-2-6-19(7-3-17)32-16-27-15-28-32;1-26-14-23(31-13-17(20(25)32)21(28-31)27-22(33)16-4-5-16)7-9-30(10-8-23)12-15-3-6-18(24)19(11-15)29-36(2,34)35;1-26-14-23(31-13-19(20(25)32)21(28-31)27-22(33)16-3-4-16)5-7-30(8-6-23)12-15-9-17(24)11-18(10-15)29-36(2,34)35/h2-7,10-11,17,19,21H,8-9,12-16,18H2,(H2,30,38)(H,33,34,39);2-5,8,11,15,19H,6-7,9-10,12-14,16H2,(H2,30,38)(H,32,34,39);3-6,9,12,16,20H,7-8,10-11,13-15,17H2,2H3,(H2,27,35)(H,29,31,36);4-5,8-9,17,20H,2-3,6-7,10-16,18H2,(H2,27,34)(H,29,30,35);2-4,7-8,11-12,16,19H,5-6,9-10,13-15,17H2,(H2,26,34)(H,29,30,35);2-3,6-7,10,13,15,17,19H,4-5,8-9,11-12,14,16H2,(H2,26,34)(H,29,30,35);2-6,13,15-16,19H,7-12,14,17H2,(H2,26,34)(H,29,30,35);3,6,11,13,17H,4-5,7-10,12,14H2,1H3,(H2,26,34)(H,28,33)(H,29,30,35);2-3,6-7,10-11,15,18H,4-5,8-9,12-14,16H2,(H2,25,34)(H,29,30,35);2-3,6-7,13,15-16,18H,4-5,8-12,14H2,(H2,25,34)(H,29,30,35);3,6,11,13,16,29H,4-5,7-10,12,14H2,2H3,(H2,25,32)(H,27,28,33);9-11,13,16,29H,3-8,12,14H2,2H3,(H2,25,32)(H,27,28,33).
What are the key properties of 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 5923.24 g/mol, XLogP of 29.92, 98 rotatable bonds, 27 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-acetamido-4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-fluoro-5-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-fluoro-3-(methanesulfonamido)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 162156286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).