2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

C15H11F3N6O — CID 172525402

IUPAC2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(Cc1ccn[nH]1)c1nc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N6O/c1-23-7-10-9-2-3-11(15(16,17)18)20-13(9)24(14(25)12(10)22-23)6-8-4-5-19-21-8/h2-5,7H,6H2,1H3,(H,19,21)
InChIKeyFVKVTKFGDUWBHC-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.07
Rot. Bonds2

About 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525402) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525402
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(Cc1ccn[nH]1)c1nc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N6O/c1-23-7-10-9-2-3-11(15(16,17)18)20-13(9)24(14(25)12(10)22-23)6-8-4-5-19-21-8/h2-5,7H,6H2,1H3,(H,19,21)
InChIKeyFVKVTKFGDUWBHC-UHFFFAOYSA-N
XLogP2.07
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-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

Related Compounds

5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525523
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
3-[2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-5-yl]benzoic acid
CID 172525517
2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525479
7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one
CID 172525507
5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one
CID 1205622
3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 133058620
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525360
propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
CID 33364929
3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 75454825
1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 71933639
2-[[1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]amino]acetic acid
CID 54721178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525402) is 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is Cn1cc2c(n1)c(=O)n(Cc1ccn[nH]1)c1nc(C(F)(F)F)ccc21.
What is the InChIKey of 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is FVKVTKFGDUWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c1-23-7-10-9-2-3-11(15(16,17)18)20-13(9)24(14(25)12(10)22-23)6-8-4-5-19-21-8/h2-5,7H,6H2,1H3,(H,19,21).
What are the key properties of 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 348.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).