6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one

C26H20ClFN4O2 — CID 46205904

IUPAC6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(F)c3)cc(=O)n(C)c2cn1
InChIInChI=1S/C26H20ClFN4O2/c1-31-15-29-14-24(31)26(34,17-6-8-18(27)9-7-17)23-11-21-20(16-4-3-5-19(28)10-16)12-25(33)32(2)22(21)13-30-23/h3-15,34H,1-2H3/t26-/m1/s1
InChIKeyDZOLQYJHWOTYLH-AREMUKBSSA-N
MW474.92 g/mol
LogP4.41
Rot. Bonds4

About 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one

6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one (PubChem CID 46205904) has the molecular formula C26H20ClFN4O2 and a molecular weight of 474.92 g/mol. Its IUPAC name is 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
PubChem CID46205904
Molecular FormulaC26H20ClFN4O2
Molecular Weight474.92 g/mol
Exact Mass474.13
IUPAC Name6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(F)c3)cc(=O)n(C)c2cn1
InChIInChI=1S/C26H20ClFN4O2/c1-31-15-29-14-24(31)26(34,17-6-8-18(27)9-7-17)23-11-21-20(16-4-3-5-19(28)10-16)12-25(33)32(2)22(21)13-30-23/h3-15,34H,1-2H3/t26-/m1/s1
InChIKeyDZOLQYJHWOTYLH-AREMUKBSSA-N
XLogP4.41
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
The IUPAC name of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one (CID 46205904) is 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
The canonical SMILES for 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one is Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(F)c3)cc(=O)n(C)c2cn1.
What is the InChIKey of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
The InChIKey is DZOLQYJHWOTYLH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H20ClFN4O2/c1-31-15-29-14-24(31)26(34,17-6-8-18(27)9-7-17)23-11-21-20(16-4-3-5-19(28)10-16)12-25(33)32(2)22(21)13-30-23/h3-15,34H,1-2H3/t26-/m1/s1.
What are the key properties of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one has a molecular weight of 474.92 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one is sourced from PubChem (CID 46205904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).