4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide

C154H231F2N35O6S — CID 160624176

IUPAC4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](CCN1CCC(n2c(C)nnc2C(C)C)CC1)c1cccs1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCCC2)c2cccnc2)CC1.Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccnc2)CC1
InChIInChI=1S/C28H40F2N6O.C28H42N6O.C27H40N6O.C26H40N6O.C25H38N6O.C20H31N5OS/c1-18(2)26-34-33-19(3)36(26)24-15-22-6-7-23(16-24)35(22)14-10-25(21-5-4-13-31-17-21)32-27(37)20-8-11-28(29,30)12-9-20;1-19(2)27-32-31-20(3)34(27)25-16-23-11-12-24(17-25)33(23)15-13-26(22-10-7-14-29-18-22)30-28(35)21-8-5-4-6-9-21;1-18(2)26-31-30-19(3)33(26)24-15-22-10-11-23(16-24)32(22)14-12-25(21-9-6-13-28-17-21)29-27(34)20-7-4-5-8-20;1-19(2)25-30-29-20(3)32(25)23-11-15-31(16-12-23)17-13-24(22-10-7-14-27-18-22)28-26(33)21-8-5-4-6-9-21;1-18(2)24-29-28-19(3)31(24)22-10-14-30(15-11-22)16-12-23(21-9-6-13-26-17-21)27-25(32)20-7-4-5-8-20;1-14(2)20-23-22-15(3)25(20)17-7-10-24(11-8-17)12-9-18(21-16(4)26)19-6-5-13-27-19/h4-5,13,17-18,20,22-25H,6-12,14-16H2,1-3H3,(H,32,37);7,10,14,18-19,21,23-26H,4-6,8-9,11-13,15-17H2,1-3H3,(H,30,35);6,9,13,17-18,20,22-25H,4-5,7-8,10-12,14-16H2,1-3H3,(H,29,34);7,10,14,18-19,21,23-24H,4-6,8-9,11-13,15-17H2,1-3H3,(H,28,33);6,9,13,17-18,20,22-23H,4-5,7-8,10-12,14-16H2,1-3H3,(H,27,32);5-6,13-14,17-18H,7-12H2,1-4H3,(H,21,26)/t22?,23?,24?,25-;23?,24?,25?,26-;22?,23?,24?,25-;24-;23-;18-/m000000/s1
InChIKeyRHBRUSLSIVWYGW-UZNBTOSQSA-N
MW2738.84 g/mol
LogP27.58
Rot. Bonds47

About 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide

4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide (PubChem CID 160624176) has the molecular formula C154H231F2N35O6S and a molecular weight of 2738.84 g/mol. Its IUPAC name is 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
PubChem CID160624176
Molecular FormulaC154H231F2N35O6S
Molecular Weight2738.84 g/mol
Exact Mass2736.85
IUPAC Name4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](CCN1CCC(n2c(C)nnc2C(C)C)CC1)c1cccs1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCCC2)c2cccnc2)CC1.Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccnc2)CC1
InChIInChI=1S/C28H40F2N6O.C28H42N6O.C27H40N6O.C26H40N6O.C25H38N6O.C20H31N5OS/c1-18(2)26-34-33-19(3)36(26)24-15-22-6-7-23(16-24)35(22)14-10-25(21-5-4-13-31-17-21)32-27(37)20-8-11-28(29,30)12-9-20;1-19(2)27-32-31-20(3)34(27)25-16-23-11-12-24(17-25)33(23)15-13-26(22-10-7-14-29-18-22)30-28(35)21-8-5-4-6-9-21;1-18(2)26-31-30-19(3)33(26)24-15-22-10-11-23(16-24)32(22)14-12-25(21-9-6-13-28-17-21)29-27(34)20-7-4-5-8-20;1-19(2)25-30-29-20(3)32(25)23-11-15-31(16-12-23)17-13-24(22-10-7-14-27-18-22)28-26(33)21-8-5-4-6-9-21;1-18(2)24-29-28-19(3)31(24)22-10-14-30(15-11-22)16-12-23(21-9-6-13-26-17-21)27-25(32)20-7-4-5-8-20;1-14(2)20-23-22-15(3)25(20)17-7-10-24(11-8-17)12-9-18(21-16(4)26)19-6-5-13-27-19/h4-5,13,17-18,20,22-25H,6-12,14-16H2,1-3H3,(H,32,37);7,10,14,18-19,21,23-26H,4-6,8-9,11-13,15-17H2,1-3H3,(H,30,35);6,9,13,17-18,20,22-25H,4-5,7-8,10-12,14-16H2,1-3H3,(H,29,34);7,10,14,18-19,21,23-24H,4-6,8-9,11-13,15-17H2,1-3H3,(H,28,33);6,9,13,17-18,20,22-23H,4-5,7-8,10-12,14-16H2,1-3H3,(H,27,32);5-6,13-14,17-18H,7-12H2,1-4H3,(H,21,26)/t22?,23?,24?,25-;23?,24?,25?,26-;22?,23?,24?,25-;24-;23-;18-/m000000/s1
InChIKeyRHBRUSLSIVWYGW-UZNBTOSQSA-N
XLogP27.58
TPSA442.75 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds47
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002738.84
LogP ≤ 527.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-2-ylpropyl]cyclohexanecarboxamide
CID 126585471
N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide
CID 122668201
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-3-ylpropyl]cyclopentanecarboxamide
CID 158780457
tert-butyl N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]carbamate;4,4-difluoro-N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide
CID 157196677
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;phosphoric acid
CID 56925094
N-[(1S)-1-(6-fluoro-3-pyridinyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide
CID 118219267
3-ethyl-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-2-ylpropyl]cyclopentane-1-carboxamide
CID 122668199
N-[(1S)-1-(5-acetylthiophen-2-yl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-4,4-difluorocyclohexane-1-carboxamide
CID 118219326
4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-methylthiophen-2-yl)propyl]cyclohexane-1-carboxamide
CID 126567286
4,4-difluoro-N-[1-phenyl-3-[3-[3-propan-2-yl-5-(trideuteriomethyl)-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide
CID 25256536
methyl 5-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]thiophene-2-carboxylate
CID 122668251
4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide
CID 160939725

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide (CID 160624176) is 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide is CC(=O)N[C@@H](CCN1CCC(n2c(C)nnc2C(C)C)CC1)c1cccs1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccnc1.Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCCC2)c2cccnc2)CC1.Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccnc2)CC1.
What is the InChIKey of 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is RHBRUSLSIVWYGW-UZNBTOSQSA-N. The full InChI is InChI=1S/C28H40F2N6O.C28H42N6O.C27H40N6O.C26H40N6O.C25H38N6O.C20H31N5OS/c1-18(2)26-34-33-19(3)36(26)24-15-22-6-7-23(16-24)35(22)14-10-25(21-5-4-13-31-17-21)32-27(37)20-8-11-28(29,30)12-9-20;1-19(2)27-32-31-20(3)34(27)25-16-23-11-12-24(17-25)33(23)15-13-26(22-10-7-14-29-18-22)30-28(35)21-8-5-4-6-9-21;1-18(2)26-31-30-19(3)33(26)24-15-22-10-11-23(16-24)32(22)14-12-25(21-9-6-13-28-17-21)29-27(34)20-7-4-5-8-20;1-19(2)25-30-29-20(3)32(25)23-11-15-31(16-12-23)17-13-24(22-10-7-14-27-18-22)28-26(33)21-8-5-4-6-9-21;1-18(2)24-29-28-19(3)31(24)22-10-14-30(15-11-22)16-12-23(21-9-6-13-26-17-21)27-25(32)20-7-4-5-8-20;1-14(2)20-23-22-15(3)25(20)17-7-10-24(11-8-17)12-9-18(21-16(4)26)19-6-5-13-27-19/h4-5,13,17-18,20,22-25H,6-12,14-16H2,1-3H3,(H,32,37);7,10,14,18-19,21,23-26H,4-6,8-9,11-13,15-17H2,1-3H3,(H,30,35);6,9,13,17-18,20,22-25H,4-5,7-8,10-12,14-16H2,1-3H3,(H,29,34);7,10,14,18-19,21,23-24H,4-6,8-9,11-13,15-17H2,1-3H3,(H,28,33);6,9,13,17-18,20,22-23H,4-5,7-8,10-12,14-16H2,1-3H3,(H,27,32);5-6,13-14,17-18H,7-12H2,1-4H3,(H,21,26)/t22?,23?,24?,25-;23?,24?,25?,26-;22?,23?,24?,25-;24-;23-;18-/m000000/s1.
What are the key properties of 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 2738.84 g/mol, XLogP of 27.58, 47 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclohexanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide;N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 160624176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).