13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C145H172F3N15O26S4 — CID 158537032

IUPAC13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(O)(C(F)(F)F)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1C3CCCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC(O)C1CCC3O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3COCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C37H43F3N4O6S.C37H46N4O7S.C36H41N3O6S.C35H42N4O7S/c1-42(2)51(48,49)41-33(45)22-9-13-27-30(15-22)43-20-35(34(46)44-23-10-11-24(44)18-36(47,17-23)37(38,39)40)19-29(35)28-16-25(50-3)12-14-26(28)32(43)31(27)21-7-5-4-6-8-21;1-39(2)49(46,47)38-35(44)22-9-11-25-30(17-22)40-20-37(36(45)41-28-13-15-31(42)29(41)14-16-32(28)43)19-27(37)26-18-23(48-3)10-12-24(26)34(40)33(25)21-7-5-4-6-8-21;1-44-28-11-15-30-24(17-28)16-25(36(41)39-26-8-5-9-27(39)21-45-20-26)19-38-32-18-23(35(40)37-46(42,43)29-12-13-29)10-14-31(32)33(34(30)38)22-6-3-2-4-7-22;1-37(2)47(42,43)36-33(40)22-9-11-27-30(13-22)38-20-35(34(41)39-23-16-45-18-24(39)19-46-17-23)15-29(35)28-14-25(44-3)10-12-26(28)32(38)31(27)21-7-5-4-6-8-21/h9,12-16,21,23-24,29,47H,4-8,10-11,17-20H2,1-3H3,(H,41,45);9-12,17-18,21,27-29,31-32,42-43H,4-8,13-16,19-20H2,1-3H3,(H,38,44);10-11,14-18,22,26-27,29H,2-9,12-13,19-21H2,1H3,(H,37,40);9-14,21,23-24,29H,4-8,15-20H2,1-3H3,(H,36,40)/t;27-,28?,29?,31?,32?,37-;;23?,24?,29-,35-/m.0.0/s1
InChIKeyHOBIWJFOGJBKQW-LNDWUPTMSA-N
MW2726.31 g/mol
LogP19.88
Rot. Bonds24

About 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 158537032) has the molecular formula C145H172F3N15O26S4 and a molecular weight of 2726.31 g/mol. Its IUPAC name is 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID158537032
Molecular FormulaC145H172F3N15O26S4
Molecular Weight2726.31 g/mol
Exact Mass2724.14
IUPAC Name13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(O)(C(F)(F)F)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1C3CCCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC(O)C1CCC3O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3COCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C37H43F3N4O6S.C37H46N4O7S.C36H41N3O6S.C35H42N4O7S/c1-42(2)51(48,49)41-33(45)22-9-13-27-30(15-22)43-20-35(34(46)44-23-10-11-24(44)18-36(47,17-23)37(38,39)40)19-29(35)28-16-25(50-3)12-14-26(28)32(43)31(27)21-7-5-4-6-8-21;1-39(2)49(46,47)38-35(44)22-9-11-25-30(17-22)40-20-37(36(45)41-28-13-15-31(42)29(41)14-16-32(28)43)19-27(37)26-18-23(48-3)10-12-24(26)34(40)33(25)21-7-5-4-6-8-21;1-44-28-11-15-30-24(17-28)16-25(36(41)39-26-8-5-9-27(39)21-45-20-26)19-38-32-18-23(35(40)37-46(42,43)29-12-13-29)10-14-31(32)33(34(30)38)22-6-3-2-4-7-22;1-37(2)47(42,43)36-33(40)22-9-11-27-30(13-22)38-20-35(34(41)39-23-16-45-18-24(39)19-46-17-23)15-29(35)28-14-25(44-3)10-12-26(28)32(38)31(27)21-7-5-4-6-8-21/h9,12-16,21,23-24,29,47H,4-8,10-11,17-20H2,1-3H3,(H,41,45);9-12,17-18,21,27-29,31-32,42-43H,4-8,13-16,19-20H2,1-3H3,(H,38,44);10-11,14-18,22,26-27,29H,2-9,12-13,19-21H2,1H3,(H,37,40);9-14,21,23-24,29H,4-8,15-20H2,1-3H3,(H,36,40)/t;27-,28?,29?,31?,32?,37-;;23?,24?,29-,35-/m.0.0/s1
InChIKeyHOBIWJFOGJBKQW-LNDWUPTMSA-N
XLogP19.88
TPSA488.94 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002726.31
LogP ≤ 519.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 158537032) is 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(O)(C(F)(F)F)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1C3CCCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC(O)C1CCC3O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3COCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is HOBIWJFOGJBKQW-LNDWUPTMSA-N. The full InChI is InChI=1S/C37H43F3N4O6S.C37H46N4O7S.C36H41N3O6S.C35H42N4O7S/c1-42(2)51(48,49)41-33(45)22-9-13-27-30(15-22)43-20-35(34(46)44-23-10-11-24(44)18-36(47,17-23)37(38,39)40)19-29(35)28-16-25(50-3)12-14-26(28)32(43)31(27)21-7-5-4-6-8-21;1-39(2)49(46,47)38-35(44)22-9-11-25-30(17-22)40-20-37(36(45)41-28-13-15-31(42)29(41)14-16-32(28)43)19-27(37)26-18-23(48-3)10-12-24(26)34(40)33(25)21-7-5-4-6-8-21;1-44-28-11-15-30-24(17-28)16-25(36(41)39-26-8-5-9-27(39)21-45-20-26)19-38-32-18-23(35(40)37-46(42,43)29-12-13-29)10-14-31(32)33(34(30)38)22-6-3-2-4-7-22;1-37(2)47(42,43)36-33(40)22-9-11-27-30(13-22)38-20-35(34(41)39-23-16-45-18-24(39)19-46-17-23)15-29(35)28-14-25(44-3)10-12-26(28)32(38)31(27)21-7-5-4-6-8-21/h9,12-16,21,23-24,29,47H,4-8,10-11,17-20H2,1-3H3,(H,41,45);9-12,17-18,21,27-29,31-32,42-43H,4-8,13-16,19-20H2,1-3H3,(H,38,44);10-11,14-18,22,26-27,29H,2-9,12-13,19-21H2,1H3,(H,37,40);9-14,21,23-24,29H,4-8,15-20H2,1-3H3,(H,36,40)/t;27-,28?,29?,31?,32?,37-;;23?,24?,29-,35-/m.0.0/s1.
What are the key properties of 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 2726.31 g/mol, XLogP of 19.88, 24 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-N-cyclopropylsulfonyl-3-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;(8S,10R)-19-cyclohexyl-10-(2,6-dihydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 158537032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).