5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile

C₂₇H₂₈N₆ — CID 11993961

About 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile

5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 11993961) has the molecular formula C₂₇H₂₈N₆ and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
• PubChem CID: 11993961
• Molecular Formula: C₂₇H₂₈N₆
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.24
• IUPAC Name: 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
• SMILES: Cc1c(NC2CCC(N)CC2)c(C#N)c2ccnn2c1Nc1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C27H28N6/c1-18-26(31-22-13-9-21(29)10-14-22)24(17-28)25-15-16-30-33(25)27(18)32-23-11-7-20(8-12-23)19-5-3-2-4-6-19/h2-8,11-12,15-16,21-22,31-32H,9-10,13-14,29H2,1H3
• InChIKey: KWCLYXSRQBVWLA-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 91.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?

The IUPAC name of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 11993961) is 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?

The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile is Cc1c(NC2CCC(N)CC2)c(C#N)c2ccnn2c1Nc1ccc(-c2ccccc2)cc1.

What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?

The InChIKey is KWCLYXSRQBVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c1-18-26(31-22-13-9-21(29)10-14-22)24(17-28)25-15-16-30-33(25)27(18)32-23-11-7-20(8-12-23)19-5-3-2-4-6-19/h2-8,11-12,15-16,21-22,31-32H,9-10,13-14,29H2,1H3.

What are the key properties of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?

5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 436.56 g/mol, XLogP of 5.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 11993961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11993961 — identifiers, structure, computed properties (public domain)

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