2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide

C30H21N9O — CID 137056042

About 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137056042) has the molecular formula C30H21N9O and a molecular weight of 523.56 g/mol. Its IUPAC name is 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137056042
• Molecular Formula: C30H21N9O
• Molecular Weight: 523.56 g/mol
• Exact Mass: 523.19
• IUPAC Name: 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H21N9O/c40-25(12-18-6-2-1-3-7-18)35-21-13-19(15-31-17-21)20-14-23-27(38-39-28(23)34-16-20)30-36-26-22(9-11-33-29(26)37-30)24-8-4-5-10-32-24/h1-11,13-17H,12H2,(H,35,40)(H,33,36,37)(H,34,38,39)
• InChIKey: UOWDNJOJGKILRV-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 138.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.56
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137056042) is 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.

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

The canonical SMILES for 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2)c1.

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

The InChIKey is UOWDNJOJGKILRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N9O/c40-25(12-18-6-2-1-3-7-18)35-21-13-19(15-31-17-21)20-14-23-27(38-39-28(23)34-16-20)30-36-26-22(9-11-33-29(26)37-30)24-8-4-5-10-32-24/h1-11,13-17H,12H2,(H,35,40)(H,33,36,37)(H,34,38,39).

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

2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 523.56 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137056042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).