4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide

C35H33N7O3S — CID 58790979

IUPAC4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(NC(=O)c2ccc(-c3cnc4[nH]c5ccc(N(C)S(=O)(=O)c6ccccc6)cc5c4c3-c3ccncc3)cc2)CC1
InChIInChI=1S/C35H33N7O3S/c1-40-18-20-42(21-19-40)39-35(43)26-10-8-24(9-11-26)30-23-37-34-33(32(30)25-14-16-36-17-15-25)29-22-27(12-13-31(29)38-34)41(2)46(44,45)28-6-4-3-5-7-28/h3-17,22-23H,18-21H2,1-2H3,(H,37,38)(H,39,43)
InChIKeyRWOQFSCTFDQGID-UHFFFAOYSA-N
MW631.76 g/mol
LogP5.16
Rot. Bonds7

About 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide

4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 58790979) has the molecular formula C35H33N7O3S and a molecular weight of 631.76 g/mol. Its IUPAC name is 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID58790979
Molecular FormulaC35H33N7O3S
Molecular Weight631.76 g/mol
Exact Mass631.24
IUPAC Name4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(NC(=O)c2ccc(-c3cnc4[nH]c5ccc(N(C)S(=O)(=O)c6ccccc6)cc5c4c3-c3ccncc3)cc2)CC1
InChIInChI=1S/C35H33N7O3S/c1-40-18-20-42(21-19-40)39-35(43)26-10-8-24(9-11-26)30-23-37-34-33(32(30)25-14-16-36-17-15-25)29-22-27(12-13-31(29)38-34)41(2)46(44,45)28-6-4-3-5-7-28/h3-17,22-23H,18-21H2,1-2H3,(H,37,38)(H,39,43)
InChIKeyRWOQFSCTFDQGID-UHFFFAOYSA-N
XLogP5.16
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.76
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide 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 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide (CID 58790979) is 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide is CN1CCN(NC(=O)c2ccc(-c3cnc4[nH]c5ccc(N(C)S(=O)(=O)c6ccccc6)cc5c4c3-c3ccncc3)cc2)CC1.
What is the InChIKey of 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is RWOQFSCTFDQGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O3S/c1-40-18-20-42(21-19-40)39-35(43)26-10-8-24(9-11-26)30-23-37-34-33(32(30)25-14-16-36-17-15-25)29-22-27(12-13-31(29)38-34)41(2)46(44,45)28-6-4-3-5-7-28/h3-17,22-23H,18-21H2,1-2H3,(H,37,38)(H,39,43).
What are the key properties of 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide?
4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 631.76 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[benzenesulfonyl(methyl)amino]-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-3-yl]-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 58790979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).