6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile

C22H21N5O2 — CID 95217243

IUPAC6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C22H21N5O2/c1-14-18(10-17(11-23)21(28)25-14)22(29)27-9-5-8-16(13-27)20-19(12-24-26-20)15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,13H2,1H3,(H,24,26)(H,25,28)/t16-/m1/s1
InChIKeyUUCLWFPLBZOQKA-MRXNPFEDSA-N
MW387.44 g/mol
LogP2.96
Rot. Bonds3

About 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile (PubChem CID 95217243) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
PubChem CID95217243
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C22H21N5O2/c1-14-18(10-17(11-23)21(28)25-14)22(29)27-9-5-8-16(13-27)20-19(12-24-26-20)15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,13H2,1H3,(H,24,26)(H,25,28)/t16-/m1/s1
InChIKeyUUCLWFPLBZOQKA-MRXNPFEDSA-N
XLogP2.96
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56758939
3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56756479
2-methyl-5-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 95200554
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95188060
2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
5-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 95188082
1H-indol-2-yl-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213633
1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213634
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136693380
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56747717

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile (CID 95217243) is 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1.
What is the InChIKey of 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
The InChIKey is UUCLWFPLBZOQKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-18(10-17(11-23)21(28)25-14)22(29)27-9-5-8-16(13-27)20-19(12-24-26-20)15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,13H2,1H3,(H,24,26)(H,25,28)/t16-/m1/s1.
What are the key properties of 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile has a molecular weight of 387.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 95217243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).