2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide

C23H22ClN5O — CID 66604983

IUPAC2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)nc23)CC1
InChIInChI=1S/C23H22ClN5O/c1-28-7-9-29(10-8-28)16-5-6-17-20(12-16)27-22-18(23(25)30)13-19(26-21(17)22)14-3-2-4-15(24)11-14/h2-6,11-13,27H,7-10H2,1H3,(H2,25,30)
InChIKeyXRWPJVNMVYEAEJ-UHFFFAOYSA-N
MW419.92 g/mol
LogP3.89
Rot. Bonds3

About 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604983) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604983
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)nc23)CC1
InChIInChI=1S/C23H22ClN5O/c1-28-7-9-29(10-8-28)16-5-6-17-20(12-16)27-22-18(23(25)30)13-19(26-21(17)22)14-3-2-4-15(24)11-14/h2-6,11-13,27H,7-10H2,1H3,(H2,25,30)
InChIKeyXRWPJVNMVYEAEJ-UHFFFAOYSA-N
XLogP3.89
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-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-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604983) is 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)nc23)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is XRWPJVNMVYEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-28-7-9-29(10-8-28)16-5-6-17-20(12-16)27-22-18(23(25)30)13-19(26-21(17)22)14-3-2-4-15(24)11-14/h2-6,11-13,27H,7-10H2,1H3,(H2,25,30).
What are the key properties of 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 419.92 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).