5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine

C27H26N8O — CID 145253137

About 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine

5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine (PubChem CID 145253137) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine
• PubChem CID: 145253137
• Molecular Formula: C27H26N8O
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.22
• IUPAC Name: 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine
• SMILES: CC(C)CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C27H26N8O/c1-15(2)10-16(3)30-19-11-18(12-28-13-19)21-4-5-22-24(31-21)25(35-34-22)27-32-23-20(17-7-9-36-14-17)6-8-29-26(23)33-27/h4-9,11-16,30H,10H2,1-3H3,(H,34,35)(H,29,32,33)
• InChIKey: JKWKMHLMHCHBER-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 121.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine?

The IUPAC name of 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine (CID 145253137) is 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine.

What is the SMILES notation for 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine?

The canonical SMILES for 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine is CC(C)CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3n2)c1.

What is the InChIKey of 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine?

The InChIKey is JKWKMHLMHCHBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-15(2)10-16(3)30-19-11-18(12-28-13-19)21-4-5-22-24(31-21)25(35-34-22)27-32-23-20(17-7-9-36-14-17)6-8-29-26(23)33-27/h4-9,11-16,30H,10H2,1-3H3,(H,34,35)(H,29,32,33).

What are the key properties of 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine?

5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine has a molecular weight of 478.56 g/mol, XLogP of 6.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpentan-2-yl)pyridin-3-amine is sourced from PubChem (CID 145253137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).