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

C26H25FN6OS — CID 146466327

IUPAC8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-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)c1ccns1
InChIInChI=1S/C26H25FN6OS/c1-16-15-33(26(23-10-11-29-35-23)18-4-6-19(27)7-5-18)17(2)14-32(16)22-12-24(34)31(3)21-9-8-20(13-28)30-25(21)22/h4-12,16-17,26H,14-15H2,1-3H3/t16-,17+,26?/m0/s1
InChIKeyRCCCQNNFRXERGG-NOVWKWNWSA-N
MW488.59 g/mol
LogP4.09
Rot. Bonds4

About 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-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-thiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 146466327) has the molecular formula C26H25FN6OS and a molecular weight of 488.59 g/mol. Its IUPAC name is 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-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-thiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID146466327
Molecular FormulaC26H25FN6OS
Molecular Weight488.59 g/mol
Exact Mass488.18
IUPAC Name8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-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)c1ccns1
InChIInChI=1S/C26H25FN6OS/c1-16-15-33(26(23-10-11-29-35-23)18-4-6-19(27)7-5-18)17(2)14-32(16)22-12-24(34)31(3)21-9-8-20(13-28)30-25(21)22/h4-12,16-17,26H,14-15H2,1-3H3/t16-,17+,26?/m0/s1
InChIKeyRCCCQNNFRXERGG-NOVWKWNWSA-N
XLogP4.09
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

8-[(2S,5R)-4-[(4-fluorophenyl)-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146467078
8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-oxazol-3-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466615
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
8-[(2S)-4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169079811
8-[(2S,5R)-4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466385
8-[(2S,5R)-4-[(5-chloro-2-pyridinyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146529775
8-[(2S,5R)-4-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466242
8-[(2R)-4-[bis(4-fluorophenyl)methyl]-2-(methoxymethyl)-5-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169079794
8-[(2S)-4-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169079798
8-[(2R,5R)-4-[(4-cyanophenyl)-(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466141
8-[(2S,5R)-4-[(4-fluorophenyl)-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466568
8-[(2S,5S)-2,5-dimethyl-4-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 175933150

Frequently Asked Questions

What is the IUPAC name of 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-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-thiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 146466327) is 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-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-thiazol-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-thiazol-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)c1ccns1.
What is the InChIKey of 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is RCCCQNNFRXERGG-NOVWKWNWSA-N. The full InChI is InChI=1S/C26H25FN6OS/c1-16-15-33(26(23-10-11-29-35-23)18-4-6-19(27)7-5-18)17(2)14-32(16)22-12-24(34)31(3)21-9-8-20(13-28)30-25(21)22/h4-12,16-17,26H,14-15H2,1-3H3/t16-,17+,26?/m0/s1.
What are the key properties of 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-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-thiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 488.59 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 146466327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).