2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide

C25H19ClFN5O3 — CID 126963102

IUPAC2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
SMILESO=C(Nc1cc(C(=O)N2CC(O)C2)nn1-c1ccccc1)c1cc(-c2ccccn2)c(F)cc1Cl
InChIInChI=1S/C25H19ClFN5O3/c26-19-11-20(27)18(21-8-4-5-9-28-21)10-17(19)24(34)29-23-12-22(25(35)31-13-16(33)14-31)30-32(23)15-6-2-1-3-7-15/h1-12,16,33H,13-14H2,(H,29,34)
InChIKeyXFMGFGKMNVYEIY-UHFFFAOYSA-N
MW491.91 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide

2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide (PubChem CID 126963102) has the molecular formula C25H19ClFN5O3 and a molecular weight of 491.91 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
PubChem CID126963102
Molecular FormulaC25H19ClFN5O3
Molecular Weight491.91 g/mol
Exact Mass491.12
IUPAC Name2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
SMILESO=C(Nc1cc(C(=O)N2CC(O)C2)nn1-c1ccccc1)c1cc(-c2ccccn2)c(F)cc1Cl
InChIInChI=1S/C25H19ClFN5O3/c26-19-11-20(27)18(21-8-4-5-9-28-21)10-17(19)24(34)29-23-12-22(25(35)31-13-16(33)14-31)30-32(23)15-6-2-1-3-7-15/h1-12,16,33H,13-14H2,(H,29,34)
InChIKeyXFMGFGKMNVYEIY-UHFFFAOYSA-N
XLogP3.80
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.91
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497137
6-(4-Chlorophenyl)-3-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45279772
5-[[5-(6-Amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456250
5-[[5-(6-Amino-3-chloro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456276
5-(2-chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497013
N-(2-aminoethyl)-5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497050
5-{[2,4-dichloro-5-(3-fluoropyridin-2-yl)benzoyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497084
5-(5-(6-acetamidopyridin-2-yl)-2-chlorobenzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497113
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 118497126
5-[(2,4-Dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118497153
5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 118497157

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide (CID 126963102) is 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide is O=C(Nc1cc(C(=O)N2CC(O)C2)nn1-c1ccccc1)c1cc(-c2ccccn2)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide?
The InChIKey is XFMGFGKMNVYEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O3/c26-19-11-20(27)18(21-8-4-5-9-28-21)10-17(19)24(34)29-23-12-22(25(35)31-13-16(33)14-31)30-32(23)15-6-2-1-3-7-15/h1-12,16,33H,13-14H2,(H,29,34).
What are the key properties of 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide?
2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide has a molecular weight of 491.91 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(3-hydroxyazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 126963102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).