1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone

C16H12F3N3O2 — CID 24798271

IUPAC1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H12F3N3O2/c1-24-15-3-2-11(13(23)8-10-4-6-20-7-5-10)12-9-14(16(17,18)19)21-22(12)15/h2-7,9H,8H2,1H3
InChIKeyUHBUMOOBVXABDJ-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.18
Rot. Bonds4

About 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone

1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone (PubChem CID 24798271) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone
PubChem CID24798271
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H12F3N3O2/c1-24-15-3-2-11(13(23)8-10-4-6-20-7-5-10)12-9-14(16(17,18)19)21-22(12)15/h2-7,9H,8H2,1H3
InChIKeyUHBUMOOBVXABDJ-UHFFFAOYSA-N
XLogP3.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone (CID 24798271) is 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone is COc1ccc(C(=O)Cc2ccncc2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone?
The InChIKey is UHBUMOOBVXABDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-24-15-3-2-11(13(23)8-10-4-6-20-7-5-10)12-9-14(16(17,18)19)21-22(12)15/h2-7,9H,8H2,1H3.
What are the key properties of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone?
1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone has a molecular weight of 335.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 24798271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).