5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

C24H19ClFN5O3 — CID 118497030

IUPAC5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCOCc1ccc(F)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H19ClFN5O3/c1-34-13-15-8-10-19(26)22(28-15)14-7-9-18(25)17(11-14)24(33)29-21-12-20(23(27)32)30-31(21)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,27,32)(H,29,33)
InChIKeyYGWWJTKIQXIGIP-UHFFFAOYSA-N
MW479.90 g/mol
LogP4.22
Rot. Bonds7

About 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118497030) has the molecular formula C24H19ClFN5O3 and a molecular weight of 479.90 g/mol. Its IUPAC name is 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118497030
Molecular FormulaC24H19ClFN5O3
Molecular Weight479.90 g/mol
Exact Mass479.12
IUPAC Name5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCOCc1ccc(F)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H19ClFN5O3/c1-34-13-15-8-10-19(26)22(28-15)14-7-9-18(25)17(11-14)24(33)29-21-12-20(23(27)32)30-31(21)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,27,32)(H,29,33)
InChIKeyYGWWJTKIQXIGIP-UHFFFAOYSA-N
XLogP4.22
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-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-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118497030) is 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is COCc1ccc(F)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is YGWWJTKIQXIGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O3/c1-34-13-15-8-10-19(26)22(28-15)14-7-9-18(25)17(11-14)24(33)29-21-12-20(23(27)32)30-31(21)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,27,32)(H,29,33).
What are the key properties of 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 479.90 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-[3-fluoro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).