5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one

C20H12F3N5O — CID 172525530

IUPAC5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c(=O)n(-c3cccc4ccncc34)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C20H12F3N5O/c1-27-10-25-16-17(27)12-5-6-15(20(21,22)23)26-18(12)28(19(16)29)14-4-2-3-11-7-8-24-9-13(11)14/h2-10H,1H3
InChIKeyNMEWYZMUNKMRMI-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.84
Rot. Bonds1

About 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one

5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 172525530) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID172525530
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC Name5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c(=O)n(-c3cccc4ccncc34)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C20H12F3N5O/c1-27-10-25-16-17(27)12-5-6-15(20(21,22)23)26-18(12)28(19(16)29)14-4-2-3-11-7-8-24-9-13(11)14/h2-10H,1H3
InChIKeyNMEWYZMUNKMRMI-UHFFFAOYSA-N
XLogP3.84
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-quinolin-2-yl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 172525467
5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562862
5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562901
1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150706
2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525479
1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 161378012
5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 164562834
5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150763
3-[2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-5-yl]benzoic acid
CID 172525517
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175490444
5-(1H-imidazol-5-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525523

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (CID 172525530) is 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is Cn1cnc2c(=O)n(-c3cccc4ccncc34)c3nc(C(F)(F)F)ccc3c21.
What is the InChIKey of 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is NMEWYZMUNKMRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c1-27-10-25-16-17(27)12-5-6-15(20(21,22)23)26-18(12)28(19(16)29)14-4-2-3-11-7-8-24-9-13(11)14/h2-10H,1H3.
What are the key properties of 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 395.34 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).