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

C25H19ClFN5O2 — CID 59334762

IUPAC6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(F)n3)cc(=O)n(C)c2cn1
InChIInChI=1S/C25H19ClFN5O2/c1-31-14-28-13-22(31)25(34,15-6-8-16(26)9-7-15)21-10-18-17(19-4-3-5-23(27)30-19)11-24(33)32(2)20(18)12-29-21/h3-14,34H,1-2H3/t25-/m1/s1
InChIKeyNONYDYYFALGYQL-RUZDIDTESA-N
MW475.91 g/mol
LogP3.81
Rot. Bonds4

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

6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one (PubChem CID 59334762) has the molecular formula C25H19ClFN5O2 and a molecular weight of 475.91 g/mol. Its IUPAC name is 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one
PubChem CID59334762
Molecular FormulaC25H19ClFN5O2
Molecular Weight475.91 g/mol
Exact Mass475.12
IUPAC Name6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(F)n3)cc(=O)n(C)c2cn1
InChIInChI=1S/C25H19ClFN5O2/c1-31-14-28-13-22(31)25(34,15-6-8-16(26)9-7-15)21-10-18-17(19-4-3-5-23(27)30-19)11-24(33)32(2)20(18)12-29-21/h3-14,34H,1-2H3/t25-/m1/s1
InChIKeyNONYDYYFALGYQL-RUZDIDTESA-N
XLogP3.81
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one?
The IUPAC name of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one (CID 59334762) is 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one?
The canonical SMILES for 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one is Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(F)n3)cc(=O)n(C)c2cn1.
What is the InChIKey of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one?
The InChIKey is NONYDYYFALGYQL-RUZDIDTESA-N. The full InChI is InChI=1S/C25H19ClFN5O2/c1-31-14-28-13-22(31)25(34,15-6-8-16(26)9-7-15)21-10-18-17(19-4-3-5-23(27)30-19)11-24(33)32(2)20(18)12-29-21/h3-14,34H,1-2H3/t25-/m1/s1.
What are the key properties of 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one?
6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one has a molecular weight of 475.91 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one is sourced from PubChem (CID 59334762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).