8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride

C16H20Cl2FN5O — CID 146466644

IUPAC8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride
SMILESC[C@@H]1CN(c2c(F)c(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1.Cl.Cl
InChIInChI=1S/C16H18FN5O.2ClH/c1-9-8-22(10(2)7-19-9)15-13(17)16(23)21(3)12-5-4-11(6-18)20-14(12)15;;/h4-5,9-10,19H,7-8H2,1-3H3;2*1H/t9-,10+;;/m1../s1
InChIKeyYKHJCHVWRPZQEN-NKRBYZSKSA-N
MW388.27 g/mol
LogP1.97
Rot. Bonds1

About 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride

8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride (PubChem CID 146466644) has the molecular formula C16H20Cl2FN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride
PubChem CID146466644
Molecular FormulaC16H20Cl2FN5O
Molecular Weight388.27 g/mol
Exact Mass387.10
IUPAC Name8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride
SMILESC[C@@H]1CN(c2c(F)c(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1.Cl.Cl
InChIInChI=1S/C16H18FN5O.2ClH/c1-9-8-22(10(2)7-19-9)15-13(17)16(23)21(3)12-5-4-11(6-18)20-14(12)15;;/h4-5,9-10,19H,7-8H2,1-3H3;2*1H/t9-,10+;;/m1../s1
InChIKeyYKHJCHVWRPZQEN-NKRBYZSKSA-N
XLogP1.97
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride?
The IUPAC name of 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride (CID 146466644) is 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride.
What is the SMILES notation for 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride?
The canonical SMILES for 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride is C[C@@H]1CN(c2c(F)c(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1.Cl.Cl.
What is the InChIKey of 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride?
The InChIKey is YKHJCHVWRPZQEN-NKRBYZSKSA-N. The full InChI is InChI=1S/C16H18FN5O.2ClH/c1-9-8-22(10(2)7-19-9)15-13(17)16(23)21(3)12-5-4-11(6-18)20-14(12)15;;/h4-5,9-10,19H,7-8H2,1-3H3;2*1H/t9-,10+;;/m1../s1.
What are the key properties of 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride?
8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride has a molecular weight of 388.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride is sourced from PubChem (CID 146466644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).