3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile

C24H20N8O — CID 86664605

IUPAC3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile
SMILESCC(C)c1nn(-c2ccc(C#N)cc2C=O)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12
InChIInChI=1S/C24H20N8O/c1-15(2)23-22-21(31-12-19(27-14-31)18-10-28-30(3)11-18)6-7-26-24(22)32(29-23)20-5-4-16(9-25)8-17(20)13-33/h4-8,10-15H,1-3H3
InChIKeyFFRRRZVZUYPILT-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.81
Rot. Bonds5

About 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile

3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile (PubChem CID 86664605) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile
PubChem CID86664605
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile
SMILESCC(C)c1nn(-c2ccc(C#N)cc2C=O)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12
InChIInChI=1S/C24H20N8O/c1-15(2)23-22-21(31-12-19(27-14-31)18-10-28-30(3)11-18)6-7-26-24(22)32(29-23)20-5-4-16(9-25)8-17(20)13-33/h4-8,10-15H,1-3H3
InChIKeyFFRRRZVZUYPILT-UHFFFAOYSA-N
XLogP3.81
TPSA107.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile 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

Pimitespib
CID 67501411
3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
CID 67501021
[(7R)-4-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 24964576
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide
CID 162654034
2-(Methylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500163
3-[1-(3-Imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451185
8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-methylindazol-5-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253627
8-[[(3R,4R)-1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 129626845
8-[[(3R,4R)-1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 129626858
8-[[(3R,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-(1-methylindazol-5-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 129626872
8-[[(3R,4R)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-(1-methylindazol-5-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 129626881
8-[[(3R,4R)-1-(5-cyano-2-pyridinyl)-4-ethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 129626891

Frequently Asked Questions

What is the IUPAC name of 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile?
The IUPAC name of 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile (CID 86664605) is 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile.
What is the SMILES notation for 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile?
The canonical SMILES for 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile is CC(C)c1nn(-c2ccc(C#N)cc2C=O)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12.
What is the InChIKey of 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile?
The InChIKey is FFRRRZVZUYPILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-15(2)23-22-21(31-12-19(27-14-31)18-10-28-30(3)11-18)6-7-26-24(22)32(29-23)20-5-4-16(9-25)8-17(20)13-33/h4-8,10-15H,1-3H3.
What are the key properties of 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile?
3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile has a molecular weight of 436.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 86664605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).