2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone

C16H12ClF2N3O2 — CID 58014042

IUPAC2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2Cl)c2cc(C(F)F)nn12
InChIInChI=1S/C16H12ClF2N3O2/c1-24-15-3-2-10(13-7-12(16(18)19)21-22(13)15)14(23)6-9-4-5-20-8-11(9)17/h2-5,7-8,16H,6H2,1H3
InChIKeyWWKNAGDMWXYADH-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.75
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone

2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone (PubChem CID 58014042) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone
PubChem CID58014042
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC Name2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2Cl)c2cc(C(F)F)nn12
InChIInChI=1S/C16H12ClF2N3O2/c1-24-15-3-2-10(13-7-12(16(18)19)21-22(13)15)14(23)6-9-4-5-20-8-11(9)17/h2-5,7-8,16H,6H2,1H3
InChIKeyWWKNAGDMWXYADH-UHFFFAOYSA-N
XLogP3.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone (CID 58014042) is 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone is COc1ccc(C(=O)Cc2ccncc2Cl)c2cc(C(F)F)nn12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone?
The InChIKey is WWKNAGDMWXYADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c1-24-15-3-2-10(13-7-12(16(18)19)21-22(13)15)14(23)6-9-4-5-20-8-11(9)17/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone?
2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone has a molecular weight of 351.74 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone is sourced from PubChem (CID 58014042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).