5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C162H164F25N51O8S6 — CID 157124446

IUPAC5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nccn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1.COC1CCN(c2cnc(C(=O)Nc3csc(-c4nccn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C#N)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C(F)(F)F)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(CC(F)(F)F)CC3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C28H30F3N9O2S.C27H27F6N9OS.C27H26F6N8OS.C27H26F3N9OS.C27H29F3N8O2S.C26H26F4N8OS/c1-16(28(29,30)31)40-10-7-33-24(40)27-37-23(14-43-27)36-26(42)19-11-21(39-13-20(35-15-39)17-3-4-17)22(12-34-19)38-8-5-18(6-9-38)25(41)32-2;1-16(27(31,32)33)42-5-4-34-23(42)25-38-22(13-44-25)37-24(43)18-10-20(41-12-19(36-15-41)17-2-3-17)21(11-35-18)40-8-6-39(7-9-40)14-26(28,29)30;1-15(26(28,29)30)41-9-6-34-23(41)25-38-22(13-43-25)37-24(42)18-10-20(40-12-19(36-14-40)16-2-3-16)21(11-35-18)39-7-4-17(5-8-39)27(31,32)33;1-16(27(28,29)30)39-9-6-32-24(39)26-36-23(14-41-26)35-25(40)19-10-21(38-13-20(34-15-38)18-2-3-18)22(12-33-19)37-7-4-17(11-31)5-8-37;1-16(27(28,29)30)38-10-7-31-24(38)26-35-23(14-41-26)34-25(39)19-11-21(37-13-20(33-15-37)17-3-4-17)22(12-32-19)36-8-5-18(40-2)6-9-36;1-15(26(28,29)30)38-9-6-31-23(38)25-35-22(13-40-25)34-24(39)18-10-20(37-12-19(33-14-37)16-2-3-16)21(11-32-18)36-7-4-17(27)5-8-36/h7,10-18H,3-6,8-9H2,1-2H3,(H,32,41)(H,36,42);4-5,10-13,15-17H,2-3,6-9,14H2,1H3,(H,37,43);6,9-17H,2-5,7-8H2,1H3,(H,37,42);6,9-10,12-18H,2-5,7-8H2,1H3,(H,35,40);7,10-18H,3-6,8-9H2,1-2H3,(H,34,39);6,9-17H,2-5,7-8H2,1H3,(H,34,39)/t2*16-;15-;2*16-;15-/m000000/s1
InChIKeyAIIVDYDRUNFPFD-WHIYLHRCSA-N
MW3620.79 g/mol
LogP33.76
Rot. Bonds45

About 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 157124446) has the molecular formula C162H164F25N51O8S6 and a molecular weight of 3620.79 g/mol. Its IUPAC name is 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID157124446
Molecular FormulaC162H164F25N51O8S6
Molecular Weight3620.79 g/mol
Exact Mass3618.19
IUPAC Name5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nccn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1.COC1CCN(c2cnc(C(=O)Nc3csc(-c4nccn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C#N)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C(F)(F)F)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(CC(F)(F)F)CC3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C28H30F3N9O2S.C27H27F6N9OS.C27H26F6N8OS.C27H26F3N9OS.C27H29F3N8O2S.C26H26F4N8OS/c1-16(28(29,30)31)40-10-7-33-24(40)27-37-23(14-43-27)36-26(42)19-11-21(39-13-20(35-15-39)17-3-4-17)22(12-34-19)38-8-5-18(6-9-38)25(41)32-2;1-16(27(31,32)33)42-5-4-34-23(42)25-38-22(13-44-25)37-24(43)18-10-20(41-12-19(36-15-41)17-2-3-17)21(11-35-18)40-8-6-39(7-9-40)14-26(28,29)30;1-15(26(28,29)30)41-9-6-34-23(41)25-38-22(13-43-25)37-24(42)18-10-20(40-12-19(36-14-40)16-2-3-16)21(11-35-18)39-7-4-17(5-8-39)27(31,32)33;1-16(27(28,29)30)39-9-6-32-24(39)26-36-23(14-41-26)35-25(40)19-10-21(38-13-20(34-15-38)18-2-3-18)22(12-33-19)37-7-4-17(11-31)5-8-37;1-16(27(28,29)30)38-10-7-31-24(38)26-35-23(14-41-26)34-25(39)19-11-21(37-13-20(33-15-37)17-3-4-17)22(12-32-19)36-8-5-18(40-2)6-9-36;1-15(26(28,29)30)38-9-6-31-23(38)25-35-22(13-40-25)34-24(39)18-10-20(37-12-19(33-14-37)16-2-3-16)21(11-32-18)36-7-4-17(27)5-8-36/h7,10-18H,3-6,8-9H2,1-2H3,(H,32,41)(H,36,42);4-5,10-13,15-17H,2-3,6-9,14H2,1H3,(H,37,43);6,9-17H,2-5,7-8H2,1H3,(H,37,42);6,9-10,12-18H,2-5,7-8H2,1H3,(H,35,40);7,10-18H,3-6,8-9H2,1-2H3,(H,34,39);6,9-17H,2-5,7-8H2,1H3,(H,34,39)/t2*16-;15-;2*16-;15-/m000000/s1
InChIKeyAIIVDYDRUNFPFD-WHIYLHRCSA-N
XLogP33.76
TPSA627.92 Ų
H-Bond Donors7
H-Bond Acceptors58
Rotatable Bonds45
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003620.79
LogP ≤ 533.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1058

Analyze 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 157124446) is 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nccn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1.COC1CCN(c2cnc(C(=O)Nc3csc(-c4nccn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C#N)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C(F)(F)F)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)CC3)cn2)cs1)C(F)(F)F.C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(CC(F)(F)F)CC3)cn2)cs1)C(F)(F)F.
What is the InChIKey of 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is AIIVDYDRUNFPFD-WHIYLHRCSA-N. The full InChI is InChI=1S/C28H30F3N9O2S.C27H27F6N9OS.C27H26F6N8OS.C27H26F3N9OS.C27H29F3N8O2S.C26H26F4N8OS/c1-16(28(29,30)31)40-10-7-33-24(40)27-37-23(14-43-27)36-26(42)19-11-21(39-13-20(35-15-39)17-3-4-17)22(12-34-19)38-8-5-18(6-9-38)25(41)32-2;1-16(27(31,32)33)42-5-4-34-23(42)25-38-22(13-44-25)37-24(43)18-10-20(41-12-19(36-15-41)17-2-3-17)21(11-35-18)40-8-6-39(7-9-40)14-26(28,29)30;1-15(26(28,29)30)41-9-6-34-23(41)25-38-22(13-43-25)37-24(42)18-10-20(40-12-19(36-14-40)16-2-3-16)21(11-35-18)39-7-4-17(5-8-39)27(31,32)33;1-16(27(28,29)30)39-9-6-32-24(39)26-36-23(14-41-26)35-25(40)19-10-21(38-13-20(34-15-38)18-2-3-18)22(12-33-19)37-7-4-17(11-31)5-8-37;1-16(27(28,29)30)38-10-7-31-24(38)26-35-23(14-41-26)34-25(39)19-11-21(37-13-20(33-15-37)17-3-4-17)22(12-32-19)36-8-5-18(40-2)6-9-36;1-15(26(28,29)30)38-9-6-31-23(38)25-35-22(13-40-25)34-24(39)18-10-20(37-12-19(33-14-37)16-2-3-16)21(11-32-18)36-7-4-17(27)5-8-36/h7,10-18H,3-6,8-9H2,1-2H3,(H,32,41)(H,36,42);4-5,10-13,15-17H,2-3,6-9,14H2,1H3,(H,37,43);6,9-17H,2-5,7-8H2,1H3,(H,37,42);6,9-10,12-18H,2-5,7-8H2,1H3,(H,35,40);7,10-18H,3-6,8-9H2,1-2H3,(H,34,39);6,9-17H,2-5,7-8H2,1H3,(H,34,39)/t2*16-;15-;2*16-;15-/m000000/s1.
What are the key properties of 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 3620.79 g/mol, XLogP of 33.76, 45 rotatable bonds, 7 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanopiperidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-fluoropiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 157124446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).