N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C32H28N6O — CID 139060110

About N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 139060110) has the molecular formula C32H28N6O and a molecular weight of 512.62 g/mol. Its IUPAC name is N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
• PubChem CID: 139060110
• Molecular Formula: C32H28N6O
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.23
• IUPAC Name: N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
• SMILES: CN(C)C=O.Cc1ccc(-c2c(C#N)c(-c3c[nH]c4ccccc34)nc3c2c(C)nn3-c2ccccc2)cc1
• InChI: InChI=1S/C29H21N5.C3H7NO/c1-18-12-14-20(15-13-18)27-23(16-30)28(24-17-31-25-11-7-6-10-22(24)25)32-29-26(27)19(2)33-34(29)21-8-4-3-5-9-21;1-4(2)3-5/h3-15,17,31H,1-2H3;3H,1-2H3
• InChIKey: IFVHVJUJGDZVKE-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 90.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?

The IUPAC name of N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 139060110) is N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

What is the SMILES notation for N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?

The canonical SMILES for N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is CN(C)C=O.Cc1ccc(-c2c(C#N)c(-c3c[nH]c4ccccc34)nc3c2c(C)nn3-c2ccccc2)cc1.

What is the InChIKey of N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?

The InChIKey is IFVHVJUJGDZVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5.C3H7NO/c1-18-12-14-20(15-13-18)27-23(16-30)28(24-17-31-25-11-7-6-10-22(24)25)32-29-26(27)19(2)33-34(29)21-8-4-3-5-9-21;1-4(2)3-5/h3-15,17,31H,1-2H3;3H,1-2H3.

What are the key properties of N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?

N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 512.62 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 139060110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).