13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide

C40H53N7O4S — CID 143770762

IUPAC13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide
SMILESCN(C)CCN(C)C=O.COc1ccc2c(c1)C=C(c1c(C)cnn1C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NSN3CCOCC3)cc21
InChIInChI=1S/C34H39N5O3S.C6H14N2O/c1-22-20-35-37(2)32(22)26-17-25-18-27(41-3)10-12-28(25)33-31(23-7-5-4-6-8-23)29-11-9-24(19-30(29)39(33)21-26)34(40)36-43-38-13-15-42-16-14-38;1-7(2)4-5-8(3)6-9/h9-12,17-20,23H,4-8,13-16,21H2,1-3H3,(H,36,40);6H,4-5H2,1-3H3
InChIKeyVDGLLSHRBZIEBP-UHFFFAOYSA-N
MW727.98 g/mol
LogP6.22
Rot. Bonds10

About 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide

13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide (PubChem CID 143770762) has the molecular formula C40H53N7O4S and a molecular weight of 727.98 g/mol. Its IUPAC name is 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide.

Molecular Properties

Compound Name13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide
PubChem CID143770762
Molecular FormulaC40H53N7O4S
Molecular Weight727.98 g/mol
Exact Mass727.39
IUPAC Name13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide
SMILESCN(C)CCN(C)C=O.COc1ccc2c(c1)C=C(c1c(C)cnn1C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NSN3CCOCC3)cc21
InChIInChI=1S/C34H39N5O3S.C6H14N2O/c1-22-20-35-37(2)32(22)26-17-25-18-27(41-3)10-12-28(25)33-31(23-7-5-4-6-8-23)29-11-9-24(19-30(29)39(33)21-26)34(40)36-43-38-13-15-42-16-14-38;1-7(2)4-5-8(3)6-9/h9-12,17-20,23H,4-8,13-16,21H2,1-3H3,(H,36,40);6H,4-5H2,1-3H3
InChIKeyVDGLLSHRBZIEBP-UHFFFAOYSA-N
XLogP6.22
TPSA97.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.98
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide 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-N-cyclopentylsulfanyl-3-methoxy-6-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143770701
13-cyclohexyl-3-methoxy-6-[1-methyl-4-[(1S,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]pyrazol-5-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 25210943
13-cyclohexyl-N-(dimethylsulfamoyl)-6-[1-ethyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 59133858
13-cyclohexyl-3-methoxy-6-[1-methyl-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrazol-5-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 25211138
methyl 13-cyclohexyl-3-methoxy-6-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-oxazol-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 24740194
13-cyclohexyl-3-methoxy-6-[1-methyl-4-[(1S,5R)-8-methyl-3,8-diazabicyclo[3.2.1]oct-6-ene-3-carbonyl]pyrazol-5-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143770790
13-cyclohexyl-3-methoxy-6-[1-methyl-4-[2-(piperidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrazol-5-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 59133873
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-oxazol-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 24738410
13-cyclohexyl-6-[1-ethyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-3-methoxy-N-pyrrolidin-1-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 59133836
1-cyclobutyl-5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfanylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-3-methylpyrazole-4-carboxylic acid
CID 143891906
methyl 5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfanylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143770652
13-cyclohexyl-3-methoxy-6-[4-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 25211431

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide?
The IUPAC name of 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide (CID 143770762) is 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide.
What is the SMILES notation for 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide?
The canonical SMILES for 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide is CN(C)CCN(C)C=O.COc1ccc2c(c1)C=C(c1c(C)cnn1C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NSN3CCOCC3)cc21.
What is the InChIKey of 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide?
The InChIKey is VDGLLSHRBZIEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O3S.C6H14N2O/c1-22-20-35-37(2)32(22)26-17-25-18-27(41-3)10-12-28(25)33-31(23-7-5-4-6-8-23)29-11-9-24(19-30(29)39(33)21-26)34(40)36-43-38-13-15-42-16-14-38;1-7(2)4-5-8(3)6-9/h9-12,17-20,23H,4-8,13-16,21H2,1-3H3,(H,36,40);6H,4-5H2,1-3H3.
What are the key properties of 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide?
13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide has a molecular weight of 727.98 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-6-(1,4-dimethylpyrazol-5-yl)-3-methoxy-N-morpholin-4-ylsulfanyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;N-[2-(dimethylamino)ethyl]-N-methylformamide is sourced from PubChem (CID 143770762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).