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

C18H10ClF5N4O2 — CID 164562901

IUPAC5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c(=O)n(-c3ccc(OC(F)F)cc3Cl)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C18H10ClF5N4O2/c1-27-7-25-13-14(27)9-3-5-12(18(22,23)24)26-15(9)28(16(13)29)11-4-2-8(6-10(11)19)30-17(20)21/h2-7,17H,1H3
InChIKeyZJFAMOLEBZUXFJ-UHFFFAOYSA-N
MW444.75 g/mol
LogP4.55
Rot. Bonds3

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

5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 164562901) has the molecular formula C18H10ClF5N4O2 and a molecular weight of 444.75 g/mol. Its IUPAC name is 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID164562901
Molecular FormulaC18H10ClF5N4O2
Molecular Weight444.75 g/mol
Exact Mass444.04
IUPAC Name5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c(=O)n(-c3ccc(OC(F)F)cc3Cl)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C18H10ClF5N4O2/c1-27-7-25-13-14(27)9-3-5-12(18(22,23)24)26-15(9)28(16(13)29)11-4-2-8(6-10(11)19)30-17(20)21/h2-7,17H,1H3
InChIKeyZJFAMOLEBZUXFJ-UHFFFAOYSA-N
XLogP4.55
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.75
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (CID 164562901) is 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is Cn1cnc2c(=O)n(-c3ccc(OC(F)F)cc3Cl)c3nc(C(F)(F)F)ccc3c21.
What is the InChIKey of 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is ZJFAMOLEBZUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF5N4O2/c1-27-7-25-13-14(27)9-3-5-12(18(22,23)24)26-15(9)28(16(13)29)11-4-2-8(6-10(11)19)30-17(20)21/h2-7,17H,1H3.
What are the key properties of 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 444.75 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 164562901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).