6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile

C26H19ClN6O2 — CID 59334725

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

6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile (PubChem CID 59334725) has the molecular formula C26H19ClN6O2 and a molecular weight of 482.93 g/mol. Its IUPAC name is 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile
• PubChem CID: 59334725
• Molecular Formula: C26H19ClN6O2
• Molecular Weight: 482.93 g/mol
• Exact Mass: 482.13
• IUPAC Name: 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile
• SMILES: Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(C#N)n3)cc(=O)n(C)c2cn1
• InChI: InChI=1S/C26H19ClN6O2/c1-32-15-29-14-24(32)26(35,16-6-8-17(27)9-7-16)23-10-20-19(21-5-3-4-18(12-28)31-21)11-25(34)33(2)22(20)13-30-23/h3-11,13-15,35H,1-2H3/t26-/m1/s1
• InChIKey: MPIVYYQTUXEFBT-AREMUKBSSA-N
• XLogP: 3.54
• TPSA: 109.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.93
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile (CID 59334725) is 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile is Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(C#N)n3)cc(=O)n(C)c2cn1.

What is the InChIKey of 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile?

The InChIKey is MPIVYYQTUXEFBT-AREMUKBSSA-N. The full InChI is InChI=1S/C26H19ClN6O2/c1-32-15-29-14-24(32)26(35,16-6-8-17(27)9-7-16)23-10-20-19(21-5-3-4-18(12-28)31-21)11-25(34)33(2)22(20)13-30-23/h3-11,13-15,35H,1-2H3/t26-/m1/s1.

What are the key properties of 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile?

6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile has a molecular weight of 482.93 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 59334725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).