5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide

C26H17ClF2N6O3 — CID 126962668

IUPAC5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCc1ccon1)c1cc(NC(=O)c2cc(-c3ncccc3F)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H17ClF2N6O3/c27-19-12-21(29)18(24-20(28)7-4-9-30-24)11-17(19)25(36)32-23-13-22(26(37)31-14-15-8-10-38-34-15)33-35(23)16-5-2-1-3-6-16/h1-13H,14H2,(H,31,37)(H,32,36)
InChIKeyKWURRFSVIDPSHE-UHFFFAOYSA-N
MW534.91 g/mol
LogP5.04
Rot. Bonds7

About 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 126962668) has the molecular formula C26H17ClF2N6O3 and a molecular weight of 534.91 g/mol. Its IUPAC name is 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID126962668
Molecular FormulaC26H17ClF2N6O3
Molecular Weight534.91 g/mol
Exact Mass534.10
IUPAC Name5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCc1ccon1)c1cc(NC(=O)c2cc(-c3ncccc3F)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H17ClF2N6O3/c27-19-12-21(29)18(24-20(28)7-4-9-30-24)11-17(19)25(36)32-23-13-22(26(37)31-14-15-8-10-38-34-15)33-35(23)16-5-2-1-3-6-16/h1-13H,14H2,(H,31,37)(H,32,36)
InChIKeyKWURRFSVIDPSHE-UHFFFAOYSA-N
XLogP5.04
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.91
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497013
N-[(2-amino-4-pyridinyl)methyl]-5-[[2-chloro-4-fluoro-5-(6-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 155517096
US11673893, Example 59
CID 156136501
WO2022098970, Example 330
CID 163291913
WO2022098970, Example 302
CID 163292176
WO2022098970, Example 321
CID 164607713
5-(2-chloro-5-(3-fluoropyridin-2-yl)benzamido)-N-cyclopropyl-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497029
5-{[2-chloro-4-fluoro-5-(pyridin-2-yl)benzoyl]amino}-N-(2-hydroxyethyl)-1-phenyl-1H-Pyrazole-3-carboxamide
CID 118497046
5-(2-chloro-5-(3-fluoropyridin-2-yl)benzamido)-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 118497047
N-(2-aminoethyl)-5-(2-chloro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497081
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(2H-triazol-4-ylmethyl)pyrazole-3-carboxamide
CID 118497098
5-(2-chloro-5-(3-fluoropyridin-2-yl)benzamido)-N-(2-hydroxyethyl)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497101

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide (CID 126962668) is 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide is O=C(NCc1ccon1)c1cc(NC(=O)c2cc(-c3ncccc3F)c(F)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is KWURRFSVIDPSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF2N6O3/c27-19-12-21(29)18(24-20(28)7-4-9-30-24)11-17(19)25(36)32-23-13-22(26(37)31-14-15-8-10-38-34-15)33-35(23)16-5-2-1-3-6-16/h1-13H,14H2,(H,31,37)(H,32,36).
What are the key properties of 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 534.91 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).