13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate

C60H68N4O9S — CID 143427335

IUPAC13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
SMILESCOC(=O)C1=Cc2ccccc2-c2c(C3CCCCCC3)c3ccc(C(=O)OC)cc3n2C1.C[C@@H]1CN(C(=O)C2Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(C)(=O)=O)cc4n3C2)C[C@H](C)O1
InChIInChI=1S/C32H39N3O5S.C28H29NO4/c1-20-17-34(18-21(2)40-20)32(37)25-15-23-11-7-8-12-26(23)30-29(22-9-5-4-6-10-22)27-14-13-24(16-28(27)35(30)19-25)31(36)33-41(3,38)39;1-32-27(30)20-13-14-23-24(16-20)29-17-21(28(31)33-2)15-19-11-7-8-12-22(19)26(29)25(23)18-9-5-3-4-6-10-18/h7-8,11-14,16,20-22,25H,4-6,9-10,15,17-19H2,1-3H3,(H,33,36);7-8,11-16,18H,3-6,9-10,17H2,1-2H3/t20-,21+,25?;
InChIKeyKVDARXMOLACLNY-GSWRNCACSA-N
MW1021.29 g/mol
LogP10.96
Rot. Bonds7

About 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate

13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate (PubChem CID 143427335) has the molecular formula C60H68N4O9S and a molecular weight of 1021.29 g/mol. Its IUPAC name is 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate.

Molecular Properties

Compound Name13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
PubChem CID143427335
Molecular FormulaC60H68N4O9S
Molecular Weight1021.29 g/mol
Exact Mass1020.47
IUPAC Name13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
SMILESCOC(=O)C1=Cc2ccccc2-c2c(C3CCCCCC3)c3ccc(C(=O)OC)cc3n2C1.C[C@@H]1CN(C(=O)C2Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(C)(=O)=O)cc4n3C2)C[C@H](C)O1
InChIInChI=1S/C32H39N3O5S.C28H29NO4/c1-20-17-34(18-21(2)40-20)32(37)25-15-23-11-7-8-12-26(23)30-29(22-9-5-4-6-10-22)27-14-13-24(16-28(27)35(30)19-25)31(36)33-41(3,38)39;1-32-27(30)20-13-14-23-24(16-20)29-17-21(28(31)33-2)15-19-11-7-8-12-22(19)26(29)25(23)18-9-5-3-4-6-10-18/h7-8,11-14,16,20-22,25H,4-6,9-10,15,17-19H2,1-3H3,(H,33,36);7-8,11-16,18H,3-6,9-10,17H2,1-2H3/t20-,21+,25?;
InChIKeyKVDARXMOLACLNY-GSWRNCACSA-N
XLogP10.96
TPSA155.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.29
LogP ≤ 510.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate with MolForge

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Related Compounds

13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-fluoro-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 24769652
methyl 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-fluoro-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58677109
methyl 13-cyclohexyl-3-fluoro-6-(2-methylmorpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 71206742
[4-[6-[4-(3-fluoropiperidin-1-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-10-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepin-13-yl]cyclohexyl]methyl 13-cyclohexyl-6-(3-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143427539
methyl 13-cyclohexyl-6-[(3R,5S)-3-[[4-[6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-10-(dimethylsulfamoylcarbamoyl)-3-fluoro-7H-indolo[2,1-a][2]benzazepin-13-yl]cyclohexyl]methyl]-5-methylpiperazine-1-carbonyl]-3-fluoro-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143523361
13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(morpholine-4-carbonyl)-N-(trifluoromethylsulfonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);trifluoromethanesulfonamide
CID 157798848
13-cyclohexyl-6-(morpholine-4-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;13-cyclohexyl-6-(morpholine-4-carbonyl)-N-(trifluoromethylsulfonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;trifluoromethanesulfonamide
CID 159148031
methyl 13-cyclohexyl-6,7-dihydro-6-(morpholinylcarbonyl)-5H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 16072613
methyl 2-[(13-cyclohexyl-6-oxo-5,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carbonyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 16072683
methyl 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 16072767
methyl 13-cyclohexyl-6-(1,4-oxazepane-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 16072797
methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 16072824

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate?
The IUPAC name of 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate (CID 143427335) is 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate.
What is the SMILES notation for 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate?
The canonical SMILES for 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate is COC(=O)C1=Cc2ccccc2-c2c(C3CCCCCC3)c3ccc(C(=O)OC)cc3n2C1.C[C@@H]1CN(C(=O)C2Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(C)(=O)=O)cc4n3C2)C[C@H](C)O1.
What is the InChIKey of 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate?
The InChIKey is KVDARXMOLACLNY-GSWRNCACSA-N. The full InChI is InChI=1S/C32H39N3O5S.C28H29NO4/c1-20-17-34(18-21(2)40-20)32(37)25-15-23-11-7-8-12-26(23)30-29(22-9-5-4-6-10-22)27-14-13-24(16-28(27)35(30)19-25)31(36)33-41(3,38)39;1-32-27(30)20-13-14-23-24(16-20)29-17-21(28(31)33-2)15-19-11-7-8-12-22(19)26(29)25(23)18-9-5-3-4-6-10-18/h7-8,11-14,16,20-22,25H,4-6,9-10,15,17-19H2,1-3H3,(H,33,36);7-8,11-16,18H,3-6,9-10,17H2,1-2H3/t20-,21+,25?;.
What are the key properties of 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate?
13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate has a molecular weight of 1021.29 g/mol, XLogP of 10.96, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylsulfonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;dimethyl 13-cycloheptyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate is sourced from PubChem (CID 143427335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).