2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

C20H25N7O — CID 97346442

IUPAC2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n(C)n1
InChIInChI=1S/C20H25N7O/c1-15-13-18(24(2)23-15)27-8-4-6-17(20(27)28)25-9-11-26(12-10-25)19-16(14-21)5-3-7-22-19/h3,5,7,13,17H,4,6,8-12H2,1-2H3/t17-/m1/s1
InChIKeyNQPFLMBGKAZMLK-QGZVFWFLSA-N
MW379.47 g/mol
LogP1.31
Rot. Bonds3

About 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 97346442) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID97346442
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n(C)n1
InChIInChI=1S/C20H25N7O/c1-15-13-18(24(2)23-15)27-8-4-6-17(20(27)28)25-9-11-26(12-10-25)19-16(14-21)5-3-7-22-19/h3,5,7,13,17H,4,6,8-12H2,1-2H3/t17-/m1/s1
InChIKeyNQPFLMBGKAZMLK-QGZVFWFLSA-N
XLogP1.31
TPSA81.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 97346624
3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86770898
4-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]sulfonylbutanenitrile
CID 97346626
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 75475560
2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 47299056
3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 166423238
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 166257527
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 86770894
2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171327180

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 97346442) is 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(N2CCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n(C)n1.
What is the InChIKey of 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NQPFLMBGKAZMLK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N7O/c1-15-13-18(24(2)23-15)27-8-4-6-17(20(27)28)25-9-11-26(12-10-25)19-16(14-21)5-3-7-22-19/h3,5,7,13,17H,4,6,8-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 379.47 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97346442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).