1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone

C16H13ClN2O2 — CID 22350051

IUPAC1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCOc1ccc(-c2nn3c(Cl)cccc3c2C(C)=O)cc1
InChIInChI=1S/C16H13ClN2O2/c1-10(20)15-13-4-3-5-14(17)19(13)18-16(15)11-6-8-12(21-2)9-7-11/h3-9H,1-2H3
InChIKeyKZTNICPUZFGBMA-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.87
Rot. Bonds3

About 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 22350051) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone
PubChem CID22350051
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCOc1ccc(-c2nn3c(Cl)cccc3c2C(C)=O)cc1
InChIInChI=1S/C16H13ClN2O2/c1-10(20)15-13-4-3-5-14(17)19(13)18-16(15)11-6-8-12(21-2)9-7-11/h3-9H,1-2H3
InChIKeyKZTNICPUZFGBMA-UHFFFAOYSA-N
XLogP3.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 22350051) is 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone is COc1ccc(-c2nn3c(Cl)cccc3c2C(C)=O)cc1.
What is the InChIKey of 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is KZTNICPUZFGBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10(20)15-13-4-3-5-14(17)19(13)18-16(15)11-6-8-12(21-2)9-7-11/h3-9H,1-2H3.
What are the key properties of 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 300.75 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 22350051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).