6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one

C19H16F3N3O2 — CID 67303496

IUPAC6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCN(C)C3=O)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C19H16F3N3O2/c1-24-8-7-12-9-11(3-4-14(12)18(24)26)13-5-6-17(27-2)25-15(13)10-16(23-25)19(20,21)22/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUSQJBDKBYVXSCE-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.66
Rot. Bonds2

About 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one

6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 67303496) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID67303496
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCN(C)C3=O)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C19H16F3N3O2/c1-24-8-7-12-9-11(3-4-14(12)18(24)26)13-5-6-17(27-2)25-15(13)10-16(23-25)19(20,21)22/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUSQJBDKBYVXSCE-UHFFFAOYSA-N
XLogP3.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 67303496) is 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one is COc1ccc(-c2ccc3c(c2)CCN(C)C3=O)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is USQJBDKBYVXSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-24-8-7-12-9-11(3-4-14(12)18(24)26)13-5-6-17(27-2)25-15(13)10-16(23-25)19(20,21)22/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?
6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 375.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 67303496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).