7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide

C164H187F15N28O16 — CID 158837450

IUPAC7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide
SMILESCCN(C(=O)CCCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12)C(F)(F)F.CCN(C)C(=O)C1(CCCCCc2cc(-c3cnc(C)nc3)cc3c(C(C)=O)nn(CC(=O)N4[C@@H]5C[C@@H]5C[C@H]4C(=O)Cc4nc(C(F)(F)F)ccc4C)c23)CC1.CCN(C)C(=O)[C@@H](C)CCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12.CCN(CC)C(=O)CCCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12
InChIInChI=1S/C42H48F3N7O4.2C41H48F3N7O4.C40H43F6N7O4/c1-6-50(5)40(56)41(14-15-41)13-9-7-8-10-27-16-28(30-21-46-26(4)47-22-30)17-31-38(25(3)53)49-51(39(27)31)23-37(55)52-33-18-29(33)19-34(52)35(54)20-32-24(2)11-12-36(48-32)42(43,44)45;1-7-49(6)40(55)24(3)11-9-8-10-12-27-15-28(30-20-45-26(5)46-21-30)16-31-38(25(4)52)48-50(39(27)31)22-37(54)51-33-17-29(33)18-34(51)35(53)19-32-23(2)13-14-36(47-32)41(42,43)44;1-6-49(7-2)37(54)13-11-9-8-10-12-27-16-28(30-21-45-26(5)46-22-30)17-31-39(25(4)52)48-50(40(27)31)23-38(55)51-33-18-29(33)19-34(51)35(53)20-32-24(3)14-15-36(47-32)41(42,43)44;1-5-51(40(44,45)46)35(56)11-9-7-6-8-10-25-14-26(28-19-47-24(4)48-20-28)15-29-37(23(3)54)50-52(38(25)29)21-36(57)53-31-16-27(31)17-32(53)33(55)18-30-22(2)12-13-34(49-30)39(41,42)43/h11-12,16-17,21-22,29,33-34H,6-10,13-15,18-20,23H2,1-5H3;13-16,20-21,24,29,33-34H,7-12,17-19,22H2,1-6H3;14-17,21-22,29,33-34H,6-13,18-20,23H2,1-5H3;12-15,19-20,27,31-32H,5-11,16-18,21H2,1-4H3/t29-,33-,34+;24-,29+,33+,34-;29-,33-,34+;27-,31-,32+/m1011/s1
InChIKeyIXUVZLFGCKANOS-AJUCOLSKSA-N
MW3091.45 g/mol
LogP27.91
Rot. Bonds61

About 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide

7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide (PubChem CID 158837450) has the molecular formula C164H187F15N28O16 and a molecular weight of 3091.45 g/mol. Its IUPAC name is 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide
PubChem CID158837450
Molecular FormulaC164H187F15N28O16
Molecular Weight3091.45 g/mol
Exact Mass3089.44
IUPAC Name7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide
SMILESCCN(C(=O)CCCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12)C(F)(F)F.CCN(C)C(=O)C1(CCCCCc2cc(-c3cnc(C)nc3)cc3c(C(C)=O)nn(CC(=O)N4[C@@H]5C[C@@H]5C[C@H]4C(=O)Cc4nc(C(F)(F)F)ccc4C)c23)CC1.CCN(C)C(=O)[C@@H](C)CCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12.CCN(CC)C(=O)CCCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12
InChIInChI=1S/C42H48F3N7O4.2C41H48F3N7O4.C40H43F6N7O4/c1-6-50(5)40(56)41(14-15-41)13-9-7-8-10-27-16-28(30-21-46-26(4)47-22-30)17-31-38(25(3)53)49-51(39(27)31)23-37(55)52-33-18-29(33)19-34(52)35(54)20-32-24(2)11-12-36(48-32)42(43,44)45;1-7-49(6)40(55)24(3)11-9-8-10-12-27-15-28(30-20-45-26(5)46-21-30)16-31-38(25(4)52)48-50(39(27)31)22-37(54)51-33-17-29(33)18-34(51)35(53)19-32-23(2)13-14-36(47-32)41(42,43)44;1-6-49(7-2)37(54)13-11-9-8-10-12-27-16-28(30-21-45-26(5)46-22-30)17-31-39(25(4)52)48-50(40(27)31)23-38(55)51-33-18-29(33)19-34(51)35(53)20-32-24(3)14-15-36(47-32)41(42,43)44;1-5-51(40(44,45)46)35(56)11-9-7-6-8-10-25-14-26(28-19-47-24(4)48-20-28)15-29-37(23(3)54)50-52(38(25)29)21-36(57)53-31-16-27(31)17-32(53)33(55)18-30-22(2)12-13-34(49-30)39(41,42)43/h11-12,16-17,21-22,29,33-34H,6-10,13-15,18-20,23H2,1-5H3;13-16,20-21,24,29,33-34H,7-12,17-19,22H2,1-6H3;14-17,21-22,29,33-34H,6-13,18-20,23H2,1-5H3;12-15,19-20,27,31-32H,5-11,16-18,21H2,1-4H3/t29-,33-,34+;24-,29+,33+,34-;29-,33-,34+;27-,31-,32+/m1011/s1
InChIKeyIXUVZLFGCKANOS-AJUCOLSKSA-N
XLogP27.91
TPSA525.00 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds61
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003091.45
LogP ≤ 527.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide 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

US10822352, Comp No. 640
CID 126642807
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-5-methyl-N-(1-(2,2,2-1H-pyrazol-3-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643032
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(1-(2,2,2-trifluoroethyl) pyrrolidin-3-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643098
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-5-methyl-N-(6-(trifluoromethyl) pyridin-2-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643253
US11084800, Cpd No. 35
CID 135317582
US11084800, Cpd No. 559
CID 135318173
US11084800, Cpd No. 36
CID 135318527
US11084800, Cpd No. 425
CID 135318896
US11084800, Cpd No. 159
CID 135319008
US11084800, Cpd No. 158
CID 135319035
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-5-methyl-N-(6-(trifluoromethyl) pyrazin-2-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 138626582
US11053253, Cmp No. T-238
CID 147625499

Frequently Asked Questions

What is the IUPAC name of 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide (CID 158837450) is 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide is CCN(C(=O)CCCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12)C(F)(F)F.CCN(C)C(=O)C1(CCCCCc2cc(-c3cnc(C)nc3)cc3c(C(C)=O)nn(CC(=O)N4[C@@H]5C[C@@H]5C[C@H]4C(=O)Cc4nc(C(F)(F)F)ccc4C)c23)CC1.CCN(C)C(=O)[C@@H](C)CCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12.CCN(CC)C(=O)CCCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Cc3nc(C(F)(F)F)ccc3C)c12.
What is the InChIKey of 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide?
The InChIKey is IXUVZLFGCKANOS-AJUCOLSKSA-N. The full InChI is InChI=1S/C42H48F3N7O4.2C41H48F3N7O4.C40H43F6N7O4/c1-6-50(5)40(56)41(14-15-41)13-9-7-8-10-27-16-28(30-21-46-26(4)47-22-30)17-31-38(25(3)53)49-51(39(27)31)23-37(55)52-33-18-29(33)19-34(52)35(54)20-32-24(2)11-12-36(48-32)42(43,44)45;1-7-49(6)40(55)24(3)11-9-8-10-12-27-15-28(30-20-45-26(5)46-21-30)16-31-38(25(4)52)48-50(39(27)31)22-37(54)51-33-17-29(33)18-34(51)35(53)19-32-23(2)13-14-36(47-32)41(42,43)44;1-6-49(7-2)37(54)13-11-9-8-10-12-27-16-28(30-21-45-26(5)46-22-30)17-31-39(25(4)52)48-50(40(27)31)23-38(55)51-33-18-29(33)19-34(51)35(53)20-32-24(3)14-15-36(47-32)41(42,43)44;1-5-51(40(44,45)46)35(56)11-9-7-6-8-10-25-14-26(28-19-47-24(4)48-20-28)15-29-37(23(3)54)50-52(38(25)29)21-36(57)53-31-16-27(31)17-32(53)33(55)18-30-22(2)12-13-34(49-30)39(41,42)43/h11-12,16-17,21-22,29,33-34H,6-10,13-15,18-20,23H2,1-5H3;13-16,20-21,24,29,33-34H,7-12,17-19,22H2,1-6H3;14-17,21-22,29,33-34H,6-13,18-20,23H2,1-5H3;12-15,19-20,27,31-32H,5-11,16-18,21H2,1-4H3/t29-,33-,34+;24-,29+,33+,34-;29-,33-,34+;27-,31-,32+/m1011/s1.
What are the key properties of 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide?
7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide has a molecular weight of 3091.45 g/mol, XLogP of 27.91, 61 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N,N-diethylheptanamide;(2S)-7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N,2-dimethylheptanamide;7-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]-N-ethyl-N-(trifluoromethyl)heptanamide;1-[5-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pentyl]-N-ethyl-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 158837450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).