5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one

C17H9ClF4N4O — CID 164562862

IUPAC5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c(=O)n(-c3cc(F)ccc3Cl)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C17H9ClF4N4O/c1-25-7-23-13-14(25)9-3-5-12(17(20,21)22)24-15(9)26(16(13)27)11-6-8(19)2-4-10(11)18/h2-7H,1H3
InChIKeyNGWDQBZZDJLCDA-UHFFFAOYSA-N
MW396.73 g/mol
LogP4.08
Rot. Bonds1

About 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one

5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 164562862) has the molecular formula C17H9ClF4N4O and a molecular weight of 396.73 g/mol. Its IUPAC name is 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID164562862
Molecular FormulaC17H9ClF4N4O
Molecular Weight396.73 g/mol
Exact Mass396.04
IUPAC Name5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c(=O)n(-c3cc(F)ccc3Cl)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C17H9ClF4N4O/c1-25-7-23-13-14(25)9-3-5-12(17(20,21)22)24-15(9)26(16(13)27)11-6-8(19)2-4-10(11)18/h2-7H,1H3
InChIKeyNGWDQBZZDJLCDA-UHFFFAOYSA-N
XLogP4.08
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.73
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

KF 18280
CID 3071941
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469411
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(1-methylethyl)-5-phenyl-
CID 3071940
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-butyl-3-methyl-
CID 3071975
6-Chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridine-3-carboxylic acid dipropylamide
CID 10762959
6-Chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10066809
7-Fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10712110
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935296

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (CID 164562862) is 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is Cn1cnc2c(=O)n(-c3cc(F)ccc3Cl)c3nc(C(F)(F)F)ccc3c21.
What is the InChIKey of 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is NGWDQBZZDJLCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4N4O/c1-25-7-23-13-14(25)9-3-5-12(17(20,21)22)24-15(9)26(16(13)27)11-6-8(19)2-4-10(11)18/h2-7H,1H3.
What are the key properties of 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 396.73 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 164562862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).