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

C15H11F3N6O — CID 172525523

IUPAC5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(Cc1cnc[nH]1)c1nc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N6O/c1-23-6-10-9-2-3-11(15(16,17)18)21-13(9)24(14(25)12(10)22-23)5-8-4-19-7-20-8/h2-4,6-7H,5H2,1H3,(H,19,20)
InChIKeyYGSGWTYOKXUQHS-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.07
Rot. Bonds2

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

5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525523) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525523
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(Cc1cnc[nH]1)c1nc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N6O/c1-23-6-10-9-2-3-11(15(16,17)18)21-13(9)24(14(25)12(10)22-23)5-8-4-19-7-20-8/h2-4,6-7H,5H2,1H3,(H,19,20)
InChIKeyYGSGWTYOKXUQHS-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

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525523) is 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is Cn1cc2c(n1)c(=O)n(Cc1cnc[nH]1)c1nc(C(F)(F)F)ccc21.
What is the InChIKey of 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is YGSGWTYOKXUQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c1-23-6-10-9-2-3-11(15(16,17)18)21-13(9)24(14(25)12(10)22-23)5-8-4-19-7-20-8/h2-4,6-7H,5H2,1H3,(H,19,20).
What are the key properties of 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
5-(1H-imidazol-5-ylmethyl)-2-methyl-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 5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).