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

C24H17ClFN5O2 — CID 10298332

IUPAC8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccnc3Cl)cc1-2
InChIInChI=1S/C24H17ClFN5O2/c25-22-18(2-1-11-28-22)24(33)29-15-7-3-13-4-10-17-20(23(27)32)30-31(21(17)19(13)12-15)16-8-5-14(26)6-9-16/h1-3,5-9,11-12H,4,10H2,(H2,27,32)(H,29,33)
InChIKeySYFDUZQHFKRFGW-UHFFFAOYSA-N
MW461.88 g/mol
LogP4.18
Rot. Bonds4

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

8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10298332) has the molecular formula C24H17ClFN5O2 and a molecular weight of 461.88 g/mol. Its IUPAC name is 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10298332
Molecular FormulaC24H17ClFN5O2
Molecular Weight461.88 g/mol
Exact Mass461.11
IUPAC Name8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccnc3Cl)cc1-2
InChIInChI=1S/C24H17ClFN5O2/c25-22-18(2-1-11-28-22)24(33)29-15-7-3-13-4-10-17-20(23(27)32)30-31(21(17)19(13)12-15)16-8-5-14(26)6-9-16/h1-3,5-9,11-12H,4,10H2,(H2,27,32)(H,29,33)
InChIKeySYFDUZQHFKRFGW-UHFFFAOYSA-N
XLogP4.18
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.88
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-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

Related Compounds

Pha-408
CID 22291652
8-{[2-(4-{[1-(2-Amino-2-oxoethyl)-1H-pyrazol-4-yl]methyl}piperazin-1-yl)-5-chloroisonicotinoyl]amino}-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 53322170
8-(5-chloro-2-(4-hydroxypiperidin-1-yl)isonicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 53323504
8-(5-chloro-2-(2-methoxyethylamino)isonicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 53324815
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
CID 56659488
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methylpyridine-3-carboxamide
CID 56669838
8-({5-Chloro-2-[(3S)-3,4-dimethylpiperazin-1-yl]isonicotinoyl}amino)-1-(4-fluoro-phenyl)-4,5-dihydro-1H-benzo[g]-indazole-3-carboxamide
CID 9985550
8-[[5-chloro-2-[(3S)-3-methylpiperazin-1-yl]pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10007960
8-{[5-Chloro-2-(4-isopropylpiperazin-1-yl)isonicotinoyl]-amino}-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 10008543
8-{[5-Chloro-2-(1,4-diazepan-1-yl)isonicotinoyl]amino}-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 10076485
8-[(5-Chloro-2-{[2-(dimethylamino)ethyl]amino}-isonicotinoyl)amino]-1-(4-fluoro-phenyl)-4,5-dihydro-1Hbenzo[g]indazole-3-carboxamide
CID 10098997
8-[[5-chloro-2-[(3R)-3,4-dimethylpiperazin-1-yl]pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10257503

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10298332) is 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccnc3Cl)cc1-2.
What is the InChIKey of 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is SYFDUZQHFKRFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN5O2/c25-22-18(2-1-11-28-22)24(33)29-15-7-3-13-4-10-17-20(23(27)32)30-31(21(17)19(13)12-15)16-8-5-14(26)6-9-16/h1-3,5-9,11-12H,4,10H2,(H2,27,32)(H,29,33).
What are the key properties of 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 461.88 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10298332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).