5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one

C17H12F3N3O2 — CID 45256150

IUPAC5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CNC3=O)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H12F3N3O2/c1-25-15-5-4-11(13-7-14(17(18,19)20)22-23(13)15)9-2-3-12-10(6-9)8-21-16(12)24/h2-7H,8H2,1H3,(H,21,24)
InChIKeyOKOLXWVZFSBFFY-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.27
Rot. Bonds2

About 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one

5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one (PubChem CID 45256150) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one
PubChem CID45256150
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CNC3=O)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H12F3N3O2/c1-25-15-5-4-11(13-7-14(17(18,19)20)22-23(13)15)9-2-3-12-10(6-9)8-21-16(12)24/h2-7H,8H2,1H3,(H,21,24)
InChIKeyOKOLXWVZFSBFFY-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one (CID 45256150) is 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one is COc1ccc(-c2ccc3c(c2)CNC3=O)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is OKOLXWVZFSBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-25-15-5-4-11(13-7-14(17(18,19)20)22-23(13)15)9-2-3-12-10(6-9)8-21-16(12)24/h2-7H,8H2,1H3,(H,21,24).
What are the key properties of 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one?
5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 347.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 45256150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).