8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C25H24FN7O2 — CID 146466838

IUPAC8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1C(c1ccc(F)cc1)c1ncno1
InChIInChI=1S/C25H24FN7O2/c1-15-13-33(24(25-28-14-29-35-25)17-4-6-18(26)7-5-17)16(2)12-32(15)21-10-22(34)31(3)20-9-8-19(11-27)30-23(20)21/h4-10,14-16,24H,12-13H2,1-3H3/t15-,16+,24?/m0/s1
InChIKeyZUVQZPAQWLYGMW-CAFRZEFWSA-N
MW473.51 g/mol
LogP3.02
Rot. Bonds4

About 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 146466838) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID146466838
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1C(c1ccc(F)cc1)c1ncno1
InChIInChI=1S/C25H24FN7O2/c1-15-13-33(24(25-28-14-29-35-25)17-4-6-18(26)7-5-17)16(2)12-32(15)21-10-22(34)31(3)20-9-8-19(11-27)30-23(20)21/h4-10,14-16,24H,12-13H2,1-3H3/t15-,16+,24?/m0/s1
InChIKeyZUVQZPAQWLYGMW-CAFRZEFWSA-N
XLogP3.02
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 146466838) is 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is C[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1C(c1ccc(F)cc1)c1ncno1.
What is the InChIKey of 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is ZUVQZPAQWLYGMW-CAFRZEFWSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-15-13-33(24(25-28-14-29-35-25)17-4-6-18(26)7-5-17)16(2)12-32(15)21-10-22(34)31(3)20-9-8-19(11-27)30-23(20)21/h4-10,14-16,24H,12-13H2,1-3H3/t15-,16+,24?/m0/s1.
What are the key properties of 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 473.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 146466838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).