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

C60H66F6N6O11S2 — CID 159148031

IUPAC13-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
SMILESNS(=O)(=O)C(F)(F)F.O=C(NS(=O)(=O)C(F)(F)F)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccccc1-3
InChIInChI=1S/C30H32F3N3O5S.C29H32N2O4.CH2F3NO2S/c31-30(32,33)42(39,40)34-28(37)21-10-11-24-25(17-21)36-18-22(29(38)35-12-14-41-15-13-35)16-20-8-4-5-9-23(20)27(36)26(24)19-6-2-1-3-7-19;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;2-1(3,4)8(5,6)7/h4-5,8-11,17,19,22H,1-3,6-7,12-16,18H2,(H,34,37);4-5,8-11,17,19,22H,1-3,6-7,12-16,18H2,(H,33,34);(H2,5,6,7)
InChIKeyKIXWXODNGPVGNT-UHFFFAOYSA-N
MW1225.34 g/mol
LogP9.85
Rot. Bonds7

About 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

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 (PubChem CID 159148031) has the molecular formula C60H66F6N6O11S2 and a molecular weight of 1225.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-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
PubChem CID159148031
Molecular FormulaC60H66F6N6O11S2
Molecular Weight1225.34 g/mol
Exact Mass1224.41
IUPAC Name13-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
SMILESNS(=O)(=O)C(F)(F)F.O=C(NS(=O)(=O)C(F)(F)F)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccccc1-3
InChIInChI=1S/C30H32F3N3O5S.C29H32N2O4.CH2F3NO2S/c31-30(32,33)42(39,40)34-28(37)21-10-11-24-25(17-21)36-18-22(29(38)35-12-14-41-15-13-35)16-20-8-4-5-9-23(20)27(36)26(24)19-6-2-1-3-7-19;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;2-1(3,4)8(5,6)7/h4-5,8-11,17,19,22H,1-3,6-7,12-16,18H2,(H,34,37);4-5,8-11,17,19,22H,1-3,6-7,12-16,18H2,(H,33,34);(H2,5,6,7)
InChIKeyKIXWXODNGPVGNT-UHFFFAOYSA-N
XLogP9.85
TPSA229.64 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.34
LogP ≤ 59.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 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

13-cyclohexyl-6-(morpholine-4-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 11496524
3-Cyclohexyl-1-(2-morpholin-4-yl-2-oxo-ethyl)-2-[2-(3-trifluoromethyl-phenyl)-quinolin-6-yl]-1H-indole-6-carboxylic acid
CID 11549138
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
3-Cyclohexyl-1-(2-morpholin-4-yl-2-oxo-ethyl)-2-[2-(4-trifluoromethyl-phenyl)-quinolin-6-yl]-1H-indole-6-carboxylic acid
CID 58710273
3-Cyclohexyl-1-(2-morpholin-4-yl-2-oxo-ethyl)-2-[2-(2-trifluoromethyl-phenyl)-quinolin-6-yl]-1H-indole-6-carboxylic acid
CID 58710281
3-Cyclohexyl-2-[2-(2-fluorophenyl)quinolin-8-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 69612187
13-cyclohexyl-N-[[3-[6-(4,4-difluoropiperidine-1-carbonyl)-10-[(dimethylsulfamoylamino)-hydroxymethyl]-7H-indolo[2,1-a][2]benzazepin-13-yl]cyclohexyl]methyl-methylsulfamoyl]-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143427351
[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-[[4-(4-morpholinyl)-1-piperidinyl]carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 57526683
13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 58676982

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NS(=O)(=O)C(F)(F)F.O=C(NS(=O)(=O)C(F)(F)F)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccccc1-3.
What is the InChIKey of 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?
The InChIKey is KIXWXODNGPVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O5S.C29H32N2O4.CH2F3NO2S/c31-30(32,33)42(39,40)34-28(37)21-10-11-24-25(17-21)36-18-22(29(38)35-12-14-41-15-13-35)16-20-8-4-5-9-23(20)27(36)26(24)19-6-2-1-3-7-19;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;2-1(3,4)8(5,6)7/h4-5,8-11,17,19,22H,1-3,6-7,12-16,18H2,(H,34,37);4-5,8-11,17,19,22H,1-3,6-7,12-16,18H2,(H,33,34);(H2,5,6,7).
What are the key properties of 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?
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 has a molecular weight of 1225.34 g/mol, XLogP of 9.85, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159148031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).