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

C27H22N8O — CID 137308610

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

N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137308610) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137308610
• Molecular Formula: C27H22N8O
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.19
• IUPAC Name: N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(C)c6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C27H22N8O/c1-3-22(36)30-18-12-17(13-28-14-18)20-7-8-21-24(31-20)25(35-34-21)27-32-23-19(9-10-29-26(23)33-27)16-6-4-5-15(2)11-16/h4-14H,3H2,1-2H3,(H,30,36)(H,34,35)(H,29,32,33)
• InChIKey: DTFOJNWKKLZPAW-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137308610) is N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(C)c6)c5[nH]4)c3n2)c1.

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

The InChIKey is DTFOJNWKKLZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O/c1-3-22(36)30-18-12-17(13-28-14-18)20-7-8-21-24(31-20)25(35-34-21)27-32-23-19(9-10-29-26(23)33-27)16-6-4-5-15(2)11-16/h4-14H,3H2,1-2H3,(H,30,36)(H,34,35)(H,29,32,33).

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

N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 474.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137308610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).