2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one

C17H11F3N4O2 — CID 172525511

IUPAC2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(OC(F)(F)F)ccc21
InChIInChI=1S/C17H11F3N4O2/c1-23-9-13-12-5-4-11(26-17(18,19)20)7-14(12)24(16(25)15(13)22-23)10-3-2-6-21-8-10/h2-9H,1H3
InChIKeyLRNDGQMSEDTJRV-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one

2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one (PubChem CID 172525511) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one
PubChem CID172525511
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(OC(F)(F)F)ccc21
InChIInChI=1S/C17H11F3N4O2/c1-23-9-13-12-5-4-11(26-17(18,19)20)7-14(12)24(16(25)15(13)22-23)10-3-2-6-21-8-10/h2-9H,1H3
InChIKeyLRNDGQMSEDTJRV-UHFFFAOYSA-N
XLogP3.17
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one (CID 172525511) is 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one is Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(OC(F)(F)F)ccc21.
What is the InChIKey of 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is LRNDGQMSEDTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c1-23-9-13-12-5-4-11(26-17(18,19)20)7-14(12)24(16(25)15(13)22-23)10-3-2-6-21-8-10/h2-9H,1H3.
What are the key properties of 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one?
2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 360.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-3-yl-7-(trifluoromethoxy)pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 172525511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).