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

C27H26N10 — CID 145038216

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

5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145038216) has the molecular formula C27H26N10 and a molecular weight of 490.58 g/mol. Its IUPAC name is 5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145038216
• Molecular Formula: C27H26N10
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.23
• IUPAC Name: 5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(CC(C)C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-n6cnc(C)c6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H26N10/c1-15(2)7-16(3)32-20-8-18(10-28-12-20)19-9-21-23(35-36-25(21)30-11-19)27-33-24-22(5-6-29-26(24)34-27)37-13-17(4)31-14-37/h5-6,8-15,32H,3,7H2,1-2,4H3,(H,29,33,34)(H,30,35,36)
• InChIKey: NGRBCCBYIGSPML-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 125.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 145038216) is 5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

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

The canonical SMILES for 5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C=C(CC(C)C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-n6cnc(C)c6)c5[nH]4)c3c2)c1.

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

The InChIKey is NGRBCCBYIGSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N10/c1-15(2)7-16(3)32-20-8-18(10-28-12-20)19-9-21-23(35-36-25(21)30-11-19)27-33-24-22(5-6-29-26(24)34-27)37-13-17(4)31-14-37/h5-6,8-15,32H,3,7H2,1-2,4H3,(H,29,33,34)(H,30,35,36).

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

5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 490.58 g/mol, XLogP of 5.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145038216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).