5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide

C26H22Cl2FN5O3 — CID 118497084

IUPAC5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H22Cl2FN5O3/c1-26(2,37)14-31-25(36)21-13-22(34(33-21)15-7-4-3-5-8-15)32-24(35)17-11-16(18(27)12-19(17)28)23-20(29)9-6-10-30-23/h3-13,37H,14H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyAMBFXTSHUWUGOM-UHFFFAOYSA-N
MW542.40 g/mol
LogP5.13
Rot. Bonds7

About 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide

5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 118497084) has the molecular formula C26H22Cl2FN5O3 and a molecular weight of 542.40 g/mol. Its IUPAC name is 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide
PubChem CID118497084
Molecular FormulaC26H22Cl2FN5O3
Molecular Weight542.40 g/mol
Exact Mass541.11
IUPAC Name5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H22Cl2FN5O3/c1-26(2,37)14-31-25(36)21-13-22(34(33-21)15-7-4-3-5-8-15)32-24(35)17-11-16(18(27)12-19(17)28)23-20(29)9-6-10-30-23/h3-13,37H,14H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyAMBFXTSHUWUGOM-UHFFFAOYSA-N
XLogP5.13
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.40
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-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 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide (CID 118497084) is 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide is CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is AMBFXTSHUWUGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2FN5O3/c1-26(2,37)14-31-25(36)21-13-22(34(33-21)15-7-4-3-5-8-15)32-24(35)17-11-16(18(27)12-19(17)28)23-20(29)9-6-10-30-23/h3-13,37H,14H2,1-2H3,(H,31,36)(H,32,35).
What are the key properties of 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 542.40 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).