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

IUPAC6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(C#N)n3)cc(=O)n(C)c2cn1
InChIInChI=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
InChIKeyMPIVYYQTUXEFBT-AREMUKBSSA-N
MW482.93 g/mol
LogP3.54
Rot. Bonds4

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 Name6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile
PubChem CID59334725
Molecular FormulaC26H19ClN6O2
Molecular Weight482.93 g/mol
Exact Mass482.13
IUPAC Name6-[6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,7-naphthyridin-4-yl]pyridine-2-carbonitrile
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(C#N)n3)cc(=O)n(C)c2cn1
InChIInChI=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
InChIKeyMPIVYYQTUXEFBT-AREMUKBSSA-N
XLogP3.54
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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).