2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

C31H33ClN4O3 — CID 46260855

IUPAC2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(-n1cccc1)c1n2CC(C)(C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C31H33ClN4O3/c1-31(30(38)33-23-8-4-3-5-9-23)20-35-26-15-14-24(39-2)18-25(26)27(34-16-6-7-17-34)28(35)29(37)36(31)19-21-10-12-22(32)13-11-21/h6-7,10-18,23H,3-5,8-9,19-20H2,1-2H3,(H,33,38)
InChIKeyMSNPDYALNQQPSD-UHFFFAOYSA-N
MW545.08 g/mol
LogP5.96
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46260855) has the molecular formula C31H33ClN4O3 and a molecular weight of 545.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46260855
Molecular FormulaC31H33ClN4O3
Molecular Weight545.08 g/mol
Exact Mass544.22
IUPAC Name2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(-n1cccc1)c1n2CC(C)(C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C31H33ClN4O3/c1-31(30(38)33-23-8-4-3-5-9-23)20-35-26-15-14-24(39-2)18-25(26)27(34-16-6-7-17-34)28(35)29(37)36(31)19-21-10-12-22(32)13-11-21/h6-7,10-18,23H,3-5,8-9,19-20H2,1-2H3,(H,33,38)
InChIKeyMSNPDYALNQQPSD-UHFFFAOYSA-N
XLogP5.96
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.08
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46260855) is 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2c(c1)c(-n1cccc1)c1n2CC(C)(C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is MSNPDYALNQQPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN4O3/c1-31(30(38)33-23-8-4-3-5-9-23)20-35-26-15-14-24(39-2)18-25(26)27(34-16-6-7-17-34)28(35)29(37)36(31)19-21-10-12-22(32)13-11-21/h6-7,10-18,23H,3-5,8-9,19-20H2,1-2H3,(H,33,38).
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 545.08 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46260855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).