2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide

C26H19N7O — CID 58345129

About 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide

2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide (PubChem CID 58345129) has the molecular formula C26H19N7O and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide
• PubChem CID: 58345129
• Molecular Formula: C26H19N7O
• Molecular Weight: 445.49 g/mol
• Exact Mass: 445.17
• IUPAC Name: 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide
• SMILES: N#Cc1cccc(NC(=O)Cc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)c1
• InChI: InChI=1S/C26H19N7O/c27-16-18-4-1-5-19(14-18)31-23(34)15-17-8-10-20(11-9-17)33-25(21-6-2-12-29-24(21)28)32-22-7-3-13-30-26(22)33/h1-14H,15H2,(H2,28,29)(H,31,34)
• InChIKey: OBJFIXBCKUIKHS-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 122.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?

The IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide (CID 58345129) is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide.

What is the SMILES notation for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?

The canonical SMILES for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)Cc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)c1.

What is the InChIKey of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?

The InChIKey is OBJFIXBCKUIKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O/c27-16-18-4-1-5-19(14-18)31-23(34)15-17-8-10-20(11-9-17)33-25(21-6-2-12-29-24(21)28)32-22-7-3-13-30-26(22)33/h1-14H,15H2,(H2,28,29)(H,31,34).

What are the key properties of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?

2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide has a molecular weight of 445.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 58345129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).