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

C29H26N8O — CID 137308611

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

3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137308611) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137308611
• Molecular Formula: C29H26N8O
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.22
• IUPAC Name: 3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: Cc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)nc45)[nH]c23)c1
• InChI: InChI=1S/C29H26N8O/c1-16(2)11-24(38)32-20-13-19(14-30-15-20)22-7-8-23-26(33-22)27(37-36-23)29-34-25-21(9-10-31-28(25)35-29)18-6-4-5-17(3)12-18/h4-10,12-16H,11H2,1-3H3,(H,32,38)(H,36,37)(H,31,34,35)
• InChIKey: TXGULZWYKBYCLR-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137308611) is 3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for 3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is Cc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)nc45)[nH]c23)c1.

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

The InChIKey is TXGULZWYKBYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c1-16(2)11-24(38)32-20-13-19(14-30-15-20)22-7-8-23-26(33-22)27(37-36-23)29-34-25-21(9-10-31-28(25)35-29)18-6-4-5-17(3)12-18/h4-10,12-16H,11H2,1-3H3,(H,32,38)(H,36,37)(H,31,34,35).

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

3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 502.58 g/mol, XLogP of 5.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[3-[7-(3-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137308611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).