8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C21H23N7O3S — CID 45139612

IUPAC8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C21H23N7O3S/c22-20(29)18-16-10-5-12-11-24-21(25-13-3-1-2-4-13)26-17(12)19(16)28(27-18)14-6-8-15(9-7-14)32(23,30)31/h6-9,11,13H,1-5,10H2,(H2,22,29)(H2,23,30,31)(H,24,25,26)
InChIKeyDFBJIWSACMQONP-UHFFFAOYSA-N
MW453.53 g/mol
LogP1.53
Rot. Bonds5

About 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139612) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139612
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC Name8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C21H23N7O3S/c22-20(29)18-16-10-5-12-11-24-21(25-13-3-1-2-4-13)26-17(12)19(16)28(27-18)14-6-8-15(9-7-14)32(23,30)31/h6-9,11,13H,1-5,10H2,(H2,22,29)(H2,23,30,31)(H,24,25,26)
InChIKeyDFBJIWSACMQONP-UHFFFAOYSA-N
XLogP1.53
TPSA158.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-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 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139612) is 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1cnc(NC3CCCC3)nc1-2.
What is the InChIKey of 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is DFBJIWSACMQONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S/c22-20(29)18-16-10-5-12-11-24-21(25-13-3-1-2-4-13)26-17(12)19(16)28(27-18)14-6-8-15(9-7-14)32(23,30)31/h6-9,11,13H,1-5,10H2,(H2,22,29)(H2,23,30,31)(H,24,25,26).
What are the key properties of 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).