7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile

C15H16FN5O — CID 146466278

IUPAC7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2c(F)c(=O)n(C)c3ccc(C#N)nc23)CCN1
InChIInChI=1S/C15H16FN5O/c1-9-8-21(6-5-18-9)14-12(16)15(22)20(2)11-4-3-10(7-17)19-13(11)14/h3-4,9,18H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyRWPYGXQMGIZKSL-SECBINFHSA-N
MW301.32 g/mol
LogP0.74
Rot. Bonds1

About 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile

7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 146466278) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID146466278
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2c(F)c(=O)n(C)c3ccc(C#N)nc23)CCN1
InChIInChI=1S/C15H16FN5O/c1-9-8-21(6-5-18-9)14-12(16)15(22)20(2)11-4-3-10(7-17)19-13(11)14/h3-4,9,18H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyRWPYGXQMGIZKSL-SECBINFHSA-N
XLogP0.74
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride
CID 146466644
4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide
CID 156754807
8-[(3R)-4-[bis(4-chlorophenyl)methyl]-3-ethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466099
8-[(3S)-4-[bis(4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466189
8-[4-[bis(4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-7-bromo-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466089
(4R,7R)-4,12-dimethyl-8,11-dioxo-2,5,9,12,17-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13(18),14,16-tetraene-16-carbonitrile;hydrochloride
CID 170685604
8-[(3R,4R)-4-[(4-fluorophenyl)methyl-methylamino]-3-methylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 171904345
8-[(3R)-4-[(3-fluorophenyl)-(4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466256
8-[(3R)-4-[(4-fluorophenyl)-pyrimidin-5-ylmethyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466697
8-[(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146530560
8-[(3R)-4-[(3,5-dimethylphenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146529826
8-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 151612324

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 146466278) is 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile is C[C@@H]1CN(c2c(F)c(=O)n(C)c3ccc(C#N)nc23)CCN1.
What is the InChIKey of 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is RWPYGXQMGIZKSL-SECBINFHSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-9-8-21(6-5-18-9)14-12(16)15(22)20(2)11-4-3-10(7-17)19-13(11)14/h3-4,9,18H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 301.32 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 146466278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).