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

C26H17Cl2F3N4O2 — CID 59334701

IUPAC4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F
InChIInChI=1S/C26H17Cl2F3N4O2/c1-34-14-32-13-22(34)25(37,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(36)35(26(29,30)31)24(21)33-12-17/h2-14,37H,1H3/t25-/m1/s1
InChIKeyCCDIJCAPWGWBGB-RUZDIDTESA-N
MW545.35 g/mol
LogP5.86
Rot. Bonds4

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

4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 59334701) has the molecular formula C26H17Cl2F3N4O2 and a molecular weight of 545.35 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID59334701
Molecular FormulaC26H17Cl2F3N4O2
Molecular Weight545.35 g/mol
Exact Mass544.07
IUPAC Name4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F
InChIInChI=1S/C26H17Cl2F3N4O2/c1-34-14-32-13-22(34)25(37,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(36)35(26(29,30)31)24(21)33-12-17/h2-14,37H,1H3/t25-/m1/s1
InChIKeyCCDIJCAPWGWBGB-RUZDIDTESA-N
XLogP5.86
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.35
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 59334701) is 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(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)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one is Cn1cncc1[C@@](O)(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)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is CCDIJCAPWGWBGB-RUZDIDTESA-N. The full InChI is InChI=1S/C26H17Cl2F3N4O2/c1-34-14-32-13-22(34)25(37,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(36)35(26(29,30)31)24(21)33-12-17/h2-14,37H,1H3/t25-/m1/s1.
What are the key properties of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one?
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 545.35 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 59334701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).