4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide

C29H28N8O — CID 146524085

About 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide

4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide (PubChem CID 146524085) has the molecular formula C29H28N8O and a molecular weight of 504.60 g/mol. Its IUPAC name is 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide
• PubChem CID: 146524085
• Molecular Formula: C29H28N8O
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.24
• IUPAC Name: 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide
• SMILES: Nc1ncc(Nc2ccccc2)c2c1c(-c1ccc(C(=O)Nc3ccccn3)cc1)nn2C1CCCNC1
• InChI: InChI=1S/C29H28N8O/c30-28-25-26(19-11-13-20(14-12-19)29(38)35-24-10-4-5-16-32-24)36-37(22-9-6-15-31-17-22)27(25)23(18-33-28)34-21-7-2-1-3-8-21/h1-5,7-8,10-14,16,18,22,31,34H,6,9,15,17H2,(H2,30,33)(H,32,35,38)
• InChIKey: HCJMWQXSYFIXIP-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 122.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide?

The IUPAC name of 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide (CID 146524085) is 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide?

The canonical SMILES for 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide is Nc1ncc(Nc2ccccc2)c2c1c(-c1ccc(C(=O)Nc3ccccn3)cc1)nn2C1CCCNC1.

What is the InChIKey of 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide?

The InChIKey is HCJMWQXSYFIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O/c30-28-25-26(19-11-13-20(14-12-19)29(38)35-24-10-4-5-16-32-24)36-37(22-9-6-15-31-17-22)27(25)23(18-33-28)34-21-7-2-1-3-8-21/h1-5,7-8,10-14,16,18,22,31,34H,6,9,15,17H2,(H2,30,33)(H,32,35,38).

What are the key properties of 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide?

4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide has a molecular weight of 504.60 g/mol, XLogP of 5.00, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 146524085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).