4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

C29H18N4O — CID 171985433

IUPAC4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(-c3cn(-c4ccccc4)nc3-c3ccccc3)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C29H18N4O/c1-18-23(16-30)25(26-28(31-18)21-14-8-9-15-22(21)29(26)34)24-17-33(20-12-6-3-7-13-20)32-27(24)19-10-4-2-5-11-19/h2-15,17H,1H3
InChIKeyADHYVBSJYUBFKU-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.99
Rot. Bonds3

About 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 171985433) has the molecular formula C29H18N4O and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID171985433
Molecular FormulaC29H18N4O
Molecular Weight438.49 g/mol
Exact Mass438.15
IUPAC Name4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(-c3cn(-c4ccccc4)nc3-c3ccccc3)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C29H18N4O/c1-18-23(16-30)25(26-28(31-18)21-14-8-9-15-22(21)29(26)34)24-17-33(20-12-6-3-7-13-20)32-27(24)19-10-4-2-5-11-19/h2-15,17H,1H3
InChIKeyADHYVBSJYUBFKU-UHFFFAOYSA-N
XLogP5.99
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-4-(1,3-diphenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135542004
4-(4-heptylphenyl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 3560873
1,3,4-triphenylpyrazole
CID 555882
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile
CID 139218406
6-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,3-diphenylpyrazol-4-yl)-2-ethoxypyridine-3-carbonitrile
CID 171396722
3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile
CID 139049419
3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one
CID 949215
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (CID 171985433) is 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is Cc1nc2c(c(-c3cn(-c4ccccc4)nc3-c3ccccc3)c1C#N)C(=O)c1ccccc1-2.
What is the InChIKey of 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is ADHYVBSJYUBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4O/c1-18-23(16-30)25(26-28(31-18)21-14-8-9-15-22(21)29(26)34)24-17-33(20-12-6-3-7-13-20)32-27(24)19-10-4-2-5-11-19/h2-15,17H,1H3.
What are the key properties of 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 438.49 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 171985433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).