2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile

C22H17N5O — CID 86765154

IUPAC2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1-c1cc(-c2ccccc2)c(C#N)c(N)n1
InChIInChI=1S/C22H17N5O/c1-14-20(22(28)27(26-14)16-10-6-3-7-11-16)19-12-17(15-8-4-2-5-9-15)18(13-23)21(24)25-19/h2-12,26H,1H3,(H2,24,25)
InChIKeyXELDMAKXDNBEQT-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.66
Rot. Bonds3

About 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile

2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile (PubChem CID 86765154) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile
PubChem CID86765154
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1-c1cc(-c2ccccc2)c(C#N)c(N)n1
InChIInChI=1S/C22H17N5O/c1-14-20(22(28)27(26-14)16-10-6-3-7-11-16)19-12-17(15-8-4-2-5-9-15)18(13-23)21(24)25-19/h2-12,26H,1H3,(H2,24,25)
InChIKeyXELDMAKXDNBEQT-UHFFFAOYSA-N
XLogP3.66
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
4-[bis[4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)phenyl]methyl]benzonitrile
CID 102311650
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenylpyridine-3-carbonitrile
CID 23832916
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
2-amino-4-[4-(diethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
CID 3360463

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile (CID 86765154) is 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile is Cc1[nH]n(-c2ccccc2)c(=O)c1-c1cc(-c2ccccc2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile?
The InChIKey is XELDMAKXDNBEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-14-20(22(28)27(26-14)16-10-6-3-7-11-16)19-12-17(15-8-4-2-5-9-15)18(13-23)21(24)25-19/h2-12,26H,1H3,(H2,24,25).
What are the key properties of 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile?
2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile has a molecular weight of 367.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 86765154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).