(13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C23H27N7O4S — CID 167432830

IUPAC(13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESC[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4ccc(N5CCN(C)CC5)cc4S(N)(=O)=O)nc3n21
InChIInChI=1S/C23H27N7O4S/c1-14-13-25-23(32)19-11-15-3-5-18(26-21(15)30(14)19)22(31)27-17-6-4-16(12-20(17)35(24,33)34)29-9-7-28(2)8-10-29/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,32)(H,27,31)(H2,24,33,34)/t14-/m1/s1
InChIKeyBMYHKYXUUCFYMM-CQSZACIVSA-N
MW497.58 g/mol
LogP0.99
Rot. Bonds4

About (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

(13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 167432830) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name(13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID167432830
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name(13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESC[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4ccc(N5CCN(C)CC5)cc4S(N)(=O)=O)nc3n21
InChIInChI=1S/C23H27N7O4S/c1-14-13-25-23(32)19-11-15-3-5-18(26-21(15)30(14)19)22(31)27-17-6-4-16(12-20(17)35(24,33)34)29-9-7-28(2)8-10-29/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,32)(H,27,31)(H2,24,33,34)/t14-/m1/s1
InChIKeyBMYHKYXUUCFYMM-CQSZACIVSA-N
XLogP0.99
TPSA142.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-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

Related Compounds

(13R)-N-(4-cyclopropyl-2-sulfamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 167432876
N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130361739
N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 75982905
bis(1-[(4-aminophenyl)methyl]-N-[(13R)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl]pyrazole-4-carboxamide);dihydrochloride
CID 158731702
N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 118646915
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
(13R)-N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-4-carboxamide
CID 130338866
6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide
CID 151398245
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 15604762
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 123793496
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517

Frequently Asked Questions

What is the IUPAC name of (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 167432830) is (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4ccc(N5CCN(C)CC5)cc4S(N)(=O)=O)nc3n21.
What is the InChIKey of (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is BMYHKYXUUCFYMM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-14-13-25-23(32)19-11-15-3-5-18(26-21(15)30(14)19)22(31)27-17-6-4-16(12-20(17)35(24,33)34)29-9-7-28(2)8-10-29/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,32)(H,27,31)(H2,24,33,34)/t14-/m1/s1.
What are the key properties of (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
(13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-13-methyl-N-[4-(4-methylpiperazin-1-yl)-2-sulfamoylphenyl]-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 167432830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).