6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide

C23H22N8O — CID 118206907

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (PubChem CID 118206907) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
• PubChem CID: 118206907
• Molecular Formula: C23H22N8O
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.19
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
• SMILES: CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NCCc1cccnc1
• InChI: InChI=1S/C23H22N8O/c1-15(2)30-20-9-21(31-22-18(13-29-31)8-17(10-24)12-28-22)27-14-19(20)23(32)26-7-5-16-4-3-6-25-11-16/h3-4,6,8-9,11-15H,5,7H2,1-2H3,(H,26,32)(H,27,30)
• InChIKey: VGUUSEFTIDUEDH-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 121.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (CID 118206907) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NCCc1cccnc1.

What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

The InChIKey is VGUUSEFTIDUEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-15(2)30-20-9-21(31-22-18(13-29-31)8-17(10-24)12-28-22)27-14-19(20)23(32)26-7-5-16-4-3-6-25-11-16/h3-4,6,8-9,11-15H,5,7H2,1-2H3,(H,26,32)(H,27,30).

What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118206907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).