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

C64H73F3N8O8S2 — CID 143427351

IUPAC13-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
SMILESCN(C)S(=O)(=O)NC(O)c1ccc2c(C3CCCC(CN(C)S(=O)(=O)NC(=O)c4ccc5c(C6CCCCC6)c6n(c5c4)CC(C(=O)N4CCC(F)CC4)=Cc4ccccc4-6)C3)c3n(c2c1)CC(C(=O)N1CCC(F)(F)CC1)=Cc1ccccc1-3
InChIInChI=1S/C64H73F3N8O8S2/c1-70(2)84(80,81)68-60(76)45-21-23-53-55(35-45)75-39-48(63(79)73-30-26-64(66,67)27-31-73)34-43-16-8-10-19-51(43)59(75)57(53)44-17-11-12-40(32-44)37-71(3)85(82,83)69-61(77)46-20-22-52-54(36-46)74-38-47(62(78)72-28-24-49(65)25-29-72)33-42-15-7-9-18-50(42)58(74)56(52)41-13-5-4-6-14-41/h7-10,15-16,18-23,33-36,40-41,44,49,60,68,76H,4-6,11-14,17,24-32,37-39H2,1-3H3,(H,69,77)
InChIKeyKUUFTFWWHKGCEJ-UHFFFAOYSA-N
MW1203.46 g/mol
LogP10.26
Rot. Bonds13

About 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

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 (PubChem CID 143427351) has the molecular formula C64H73F3N8O8S2 and a molecular weight of 1203.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-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
PubChem CID143427351
Molecular FormulaC64H73F3N8O8S2
Molecular Weight1203.46 g/mol
Exact Mass1202.49
IUPAC Name13-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
SMILESCN(C)S(=O)(=O)NC(O)c1ccc2c(C3CCCC(CN(C)S(=O)(=O)NC(=O)c4ccc5c(C6CCCCC6)c6n(c5c4)CC(C(=O)N4CCC(F)CC4)=Cc4ccccc4-6)C3)c3n(c2c1)CC(C(=O)N1CCC(F)(F)CC1)=Cc1ccccc1-3
InChIInChI=1S/C64H73F3N8O8S2/c1-70(2)84(80,81)68-60(76)45-21-23-53-55(35-45)75-39-48(63(79)73-30-26-64(66,67)27-31-73)34-43-16-8-10-19-51(43)59(75)57(53)44-17-11-12-40(32-44)37-71(3)85(82,83)69-61(77)46-20-22-52-54(36-46)74-38-47(62(78)72-28-24-49(65)25-29-72)33-42-15-7-9-18-50(42)58(74)56(52)41-13-5-4-6-14-41/h7-10,15-16,18-23,33-36,40-41,44,49,60,68,76H,4-6,11-14,17,24-32,37-39H2,1-3H3,(H,69,77)
InChIKeyKUUFTFWWHKGCEJ-UHFFFAOYSA-N
XLogP10.26
TPSA186.60 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.46
LogP ≤ 510.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

13-cyclohexyl-6-[4-(3,3-difluoropiperidin-1-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 16666967
13-cyclohexyl-6-[4-(4-fluoropiperidin-1-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 16666970
13-cyclohexyl-6-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 57526436
13-cyclohexyl-6-[4-(3-fluoropiperidin-1-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 57526521
13-cyclohexyl-6-[4-[(3R)-3-fluoropyrrolidin-1-yl]piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 57526669
13-cyclohexyl-6-[4-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 71206699
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one
CID 134234491
7-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one
CID 134234865
3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
CID 134239873
4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134241019
4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one
CID 134241764
4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-phenyl-3H-isoindol-1-one
CID 134243247

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)S(=O)(=O)NC(O)c1ccc2c(C3CCCC(CN(C)S(=O)(=O)NC(=O)c4ccc5c(C6CCCCC6)c6n(c5c4)CC(C(=O)N4CCC(F)CC4)=Cc4ccccc4-6)C3)c3n(c2c1)CC(C(=O)N1CCC(F)(F)CC1)=Cc1ccccc1-3.
What is the InChIKey of 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?
The InChIKey is KUUFTFWWHKGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H73F3N8O8S2/c1-70(2)84(80,81)68-60(76)45-21-23-53-55(35-45)75-39-48(63(79)73-30-26-64(66,67)27-31-73)34-43-16-8-10-19-51(43)59(75)57(53)44-17-11-12-40(32-44)37-71(3)85(82,83)69-61(77)46-20-22-52-54(36-46)74-38-47(62(78)72-28-24-49(65)25-29-72)33-42-15-7-9-18-50(42)58(74)56(52)41-13-5-4-6-14-41/h7-10,15-16,18-23,33-36,40-41,44,49,60,68,76H,4-6,11-14,17,24-32,37-39H2,1-3H3,(H,69,77).
What are the key properties of 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?
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 has a molecular weight of 1203.46 g/mol, XLogP of 10.26, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143427351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).