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

C44H55N7O6S — CID 59133873

IUPAC13-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
SMILESCOc1ccc2c(c1)C=C(c1c(C(=O)N3CCCC3CN3CCCCC3)cnn1C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C44H55N7O6S/c1-47-41(38(27-45-47)44(53)50-19-9-12-34(50)29-48-17-7-4-8-18-48)33-24-32-25-35(56-2)14-16-36(32)42-40(30-10-5-3-6-11-30)37-15-13-31(26-39(37)51(42)28-33)43(52)46-58(54,55)49-20-22-57-23-21-49/h13-16,24-27,30,34H,3-12,17-23,28-29H2,1-2H3,(H,46,52)
InChIKeyPDLYASWEOZCYST-UHFFFAOYSA-N
MW810.03 g/mol
LogP6.05
Rot. Bonds9

About 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

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 (PubChem CID 59133873) has the molecular formula C44H55N7O6S and a molecular weight of 810.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-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
PubChem CID59133873
Molecular FormulaC44H55N7O6S
Molecular Weight810.03 g/mol
Exact Mass809.39
IUPAC Name13-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
SMILESCOc1ccc2c(c1)C=C(c1c(C(=O)N3CCCC3CN3CCCCC3)cnn1C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C44H55N7O6S/c1-47-41(38(27-45-47)44(53)50-19-9-12-34(50)29-48-17-7-4-8-18-48)33-24-32-25-35(56-2)14-16-36(32)42-40(30-10-5-3-6-11-30)37-15-13-31(26-39(37)51(42)28-33)43(52)46-58(54,55)49-20-22-57-23-21-49/h13-16,24-27,30,34H,3-12,17-23,28-29H2,1-2H3,(H,46,52)
InChIKeyPDLYASWEOZCYST-UHFFFAOYSA-N
XLogP6.05
TPSA131.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.03
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-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-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
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
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-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
N-cyclobutylsulfonyl-13-cyclohexyl-3-methoxy-6-[1-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]pyrazol-5-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 59133891
13-cyclohexyl-6-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1-methylpyrazol-5-yl]-3-methoxy-N-(2-methylpropylsulfonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 59133941
13-cyclohexyl-6-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-3-methoxy-N-(methylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71086097
13-cyclohexyl-3-methoxy-6-[4-(4-methylpiperazine-1-carbonyl)-1-propan-2-ylpyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46892019
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 25190183

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)C=C(c1c(C(=O)N3CCCC3CN3CCCCC3)cnn1C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 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?
The InChIKey is PDLYASWEOZCYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H55N7O6S/c1-47-41(38(27-45-47)44(53)50-19-9-12-34(50)29-48-17-7-4-8-18-48)33-24-32-25-35(56-2)14-16-36(32)42-40(30-10-5-3-6-11-30)37-15-13-31(26-39(37)51(42)28-33)43(52)46-58(54,55)49-20-22-57-23-21-49/h13-16,24-27,30,34H,3-12,17-23,28-29H2,1-2H3,(H,46,52).
What are the key properties of 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?
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 has a molecular weight of 810.03 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59133873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).