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

C25H20Cl2FN5O3 — CID 126962932

IUPAC5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H20Cl2FN5O3/c1-36-10-9-29-25(35)22-13-23(33(32-22)16-5-3-2-4-6-16)31-24(34)18-11-17(19(26)12-20(18)27)21-8-7-15(28)14-30-21/h2-8,11-14H,9-10H2,1H3,(H,29,35)(H,31,34)
InChIKeyYKQYWLNRAFNADE-UHFFFAOYSA-N
MW528.37 g/mol
LogP5.01
Rot. Bonds8

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

5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 126962932) has the molecular formula C25H20Cl2FN5O3 and a molecular weight of 528.37 g/mol. Its IUPAC name is 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID126962932
Molecular FormulaC25H20Cl2FN5O3
Molecular Weight528.37 g/mol
Exact Mass527.09
IUPAC Name5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H20Cl2FN5O3/c1-36-10-9-29-25(35)22-13-23(33(32-22)16-5-3-2-4-6-16)31-24(34)18-11-17(19(26)12-20(18)27)21-8-7-15(28)14-30-21/h2-8,11-14H,9-10H2,1H3,(H,29,35)(H,31,34)
InChIKeyYKQYWLNRAFNADE-UHFFFAOYSA-N
XLogP5.01
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.37
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-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-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide (CID 126962932) is 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide is COCCNC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is YKQYWLNRAFNADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN5O3/c1-36-10-9-29-25(35)22-13-23(33(32-22)16-5-3-2-4-6-16)31-24(34)18-11-17(19(26)12-20(18)27)21-8-7-15(28)14-30-21/h2-8,11-14H,9-10H2,1H3,(H,29,35)(H,31,34).
What are the key properties of 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 528.37 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).