6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile

C26H18ClFN6O — CID 59334748

IUPAC6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
SMILESCn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(C#N)n1)cc(=O)n2C
InChIInChI=1S/C26H18ClFN6O/c1-33-15-30-14-23(33)26(28,16-6-8-18(27)9-7-16)17-10-21-20(22-5-3-4-19(12-29)32-22)11-24(35)34(2)25(21)31-13-17/h3-11,13-15H,1-2H3/t26-/m1/s1
InChIKeyUHLNAASIZKQRKQ-AREMUKBSSA-N
MW484.92 g/mol
LogP4.52
Rot. Bonds4

About 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile

6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile (PubChem CID 59334748) has the molecular formula C26H18ClFN6O and a molecular weight of 484.92 g/mol. Its IUPAC name is 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
PubChem CID59334748
Molecular FormulaC26H18ClFN6O
Molecular Weight484.92 g/mol
Exact Mass484.12
IUPAC Name6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
SMILESCn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(C#N)n1)cc(=O)n2C
InChIInChI=1S/C26H18ClFN6O/c1-33-15-30-14-23(33)26(28,16-6-8-18(27)9-7-16)17-10-21-20(22-5-3-4-19(12-29)32-22)11-24(35)34(2)25(21)31-13-17/h3-11,13-15H,1-2H3/t26-/m1/s1
InChIKeyUHLNAASIZKQRKQ-AREMUKBSSA-N
XLogP4.52
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile (CID 59334748) is 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile is Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(C#N)n1)cc(=O)n2C.
What is the InChIKey of 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile?
The InChIKey is UHLNAASIZKQRKQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H18ClFN6O/c1-33-15-30-14-23(33)26(28,16-6-8-18(27)9-7-16)17-10-21-20(22-5-3-4-19(12-29)32-22)11-24(35)34(2)25(21)31-13-17/h3-11,13-15H,1-2H3/t26-/m1/s1.
What are the key properties of 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile?
6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile has a molecular weight of 484.92 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 59334748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).