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

C25H19Cl2FN6O2 — CID 126963176

IUPACN-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1CNC1)c1cc(NC(=O)c2cc(-c3ccc(F)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H19Cl2FN6O2/c26-19-9-20(27)18(8-17(19)21-7-6-14(28)11-30-21)24(35)32-23-10-22(25(36)31-15-12-29-13-15)33-34(23)16-4-2-1-3-5-16/h1-11,15,29H,12-13H2,(H,31,36)(H,32,35)
InChIKeyAGINSILAOKAOAY-UHFFFAOYSA-N
MW525.37 g/mol
LogP4.33
Rot. Bonds6

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

N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 126963176) has the molecular formula C25H19Cl2FN6O2 and a molecular weight of 525.37 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID126963176
Molecular FormulaC25H19Cl2FN6O2
Molecular Weight525.37 g/mol
Exact Mass524.09
IUPAC NameN-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1CNC1)c1cc(NC(=O)c2cc(-c3ccc(F)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H19Cl2FN6O2/c26-19-9-20(27)18(8-17(19)21-7-6-14(28)11-30-21)24(35)32-23-10-22(25(36)31-15-12-29-13-15)33-34(23)16-4-2-1-3-5-16/h1-11,15,29H,12-13H2,(H,31,36)(H,32,35)
InChIKeyAGINSILAOKAOAY-UHFFFAOYSA-N
XLogP4.33
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.37
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(3S)-5-oxopyrrolidin-3-yl]-1-phenylpyrazole-3-carboxamide
CID 126962923
N-[(1R,3R)-3-aminocyclopentyl]-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 126963184
5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 126963175
N-(3-aminopropyl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 126963182
5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)-1-phenylpyrazole-3-carboxamide
CID 126962878
5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 126962888
5-[[2-chloro-4-fluoro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-3-carboxamide
CID 134152229
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxycyclobutyl)-1-phenylpyrazole-3-carboxamide
CID 126962740
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-phenylpyrazole-3-carboxamide
CID 126963049
5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(4-fluoropyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 126963233
N-(1-acetylpiperidin-4-yl)-5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126963131
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(4-hydroxy-4-methylcyclohexyl)-1-phenylpyrazole-3-carboxamide
CID 126962763

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 126963176) is N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is O=C(NC1CNC1)c1cc(NC(=O)c2cc(-c3ccc(F)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is AGINSILAOKAOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN6O2/c26-19-9-20(27)18(8-17(19)21-7-6-14(28)11-30-21)24(35)32-23-10-22(25(36)31-15-12-29-13-15)33-34(23)16-4-2-1-3-5-16/h1-11,15,29H,12-13H2,(H,31,36)(H,32,35).
What are the key properties of N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 525.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126963176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).