1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one

C12H12F2N2O2 — CID 59389282

IUPAC1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one
SMILESCCC(=O)c1ccc(OC)n2nc(C(F)F)cc12
InChIInChI=1S/C12H12F2N2O2/c1-3-10(17)7-4-5-11(18-2)16-9(7)6-8(15-16)12(13)14/h4-6,12H,3H2,1-2H3
InChIKeyCVGSNATXFIPXBZ-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.87
Rot. Bonds4

About 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one

1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one (PubChem CID 59389282) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one
PubChem CID59389282
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one
SMILESCCC(=O)c1ccc(OC)n2nc(C(F)F)cc12
InChIInChI=1S/C12H12F2N2O2/c1-3-10(17)7-4-5-11(18-2)16-9(7)6-8(15-16)12(13)14/h4-6,12H,3H2,1-2H3
InChIKeyCVGSNATXFIPXBZ-UHFFFAOYSA-N
XLogP2.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one?
The IUPAC name of 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one (CID 59389282) is 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one.
What is the SMILES notation for 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one?
The canonical SMILES for 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one is CCC(=O)c1ccc(OC)n2nc(C(F)F)cc12.
What is the InChIKey of 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one?
The InChIKey is CVGSNATXFIPXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-3-10(17)7-4-5-11(18-2)16-9(7)6-8(15-16)12(13)14/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one?
1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one has a molecular weight of 254.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one is sourced from PubChem (CID 59389282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).