4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one

C26H16Cl2F4N4O — CID 59334673

IUPAC4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F
InChIInChI=1S/C26H16Cl2F4N4O/c1-35-14-33-13-22(35)25(29,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(37)36(26(30,31)32)24(21)34-12-17/h2-14H,1H3/t25-/m1/s1
InChIKeyZIYONNXTNBOIME-RUZDIDTESA-N
MW547.34 g/mol
LogP6.84
Rot. Bonds4

About 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one

4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 59334673) has the molecular formula C26H16Cl2F4N4O and a molecular weight of 547.34 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID59334673
Molecular FormulaC26H16Cl2F4N4O
Molecular Weight547.34 g/mol
Exact Mass546.06
IUPAC Name4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F
InChIInChI=1S/C26H16Cl2F4N4O/c1-35-14-33-13-22(35)25(29,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(37)36(26(30,31)32)24(21)34-12-17/h2-14H,1H3/t25-/m1/s1
InChIKeyZIYONNXTNBOIME-RUZDIDTESA-N
XLogP6.84
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.34
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 59334673) is 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one is Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is ZIYONNXTNBOIME-RUZDIDTESA-N. The full InChI is InChI=1S/C26H16Cl2F4N4O/c1-35-14-33-13-22(35)25(29,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(37)36(26(30,31)32)24(21)34-12-17/h2-14H,1H3/t25-/m1/s1.
What are the key properties of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 547.34 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 59334673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).