8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C24H18ClN5O3 — CID 22291453

IUPAC8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(O)c2)c2c1CCc1ccc(NC(=O)c3cccnc3Cl)cc1-2
InChIInChI=1S/C24H18ClN5O3/c25-22-18(5-2-10-27-22)24(33)28-14-8-6-13-7-9-17-20(23(26)32)29-30(21(17)19(13)11-14)15-3-1-4-16(31)12-15/h1-6,8,10-12,31H,7,9H2,(H2,26,32)(H,28,33)
InChIKeyXTDQWNKWDZEKLZ-UHFFFAOYSA-N
MW459.89 g/mol
LogP3.74
Rot. Bonds4

About 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291453) has the molecular formula C24H18ClN5O3 and a molecular weight of 459.89 g/mol. Its IUPAC name is 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291453
Molecular FormulaC24H18ClN5O3
Molecular Weight459.89 g/mol
Exact Mass459.11
IUPAC Name8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(O)c2)c2c1CCc1ccc(NC(=O)c3cccnc3Cl)cc1-2
InChIInChI=1S/C24H18ClN5O3/c25-22-18(5-2-10-27-22)24(33)28-14-8-6-13-7-9-17-20(23(26)32)29-30(21(17)19(13)11-14)15-3-1-4-16(31)12-15/h1-6,8,10-12,31H,7,9H2,(H2,26,32)(H,28,33)
InChIKeyXTDQWNKWDZEKLZ-UHFFFAOYSA-N
XLogP3.74
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-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-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291453) is 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2cccc(O)c2)c2c1CCc1ccc(NC(=O)c3cccnc3Cl)cc1-2.
What is the InChIKey of 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is XTDQWNKWDZEKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O3/c25-22-18(5-2-10-27-22)24(33)28-14-8-6-13-7-9-17-20(23(26)32)29-30(21(17)19(13)11-14)15-3-1-4-16(31)12-15/h1-6,8,10-12,31H,7,9H2,(H2,26,32)(H,28,33).
What are the key properties of 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 459.89 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloropyridine-3-carbonyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).