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

C28H24N8O — CID 137308628

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]butanamide

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 137308628) has the molecular formula C28H24N8O and a molecular weight of 488.56 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]butanamide.

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]butanamide
• PubChem CID: 137308628
• Molecular Formula: C28H24N8O
• Molecular Weight: 488.56 g/mol
• Exact Mass: 488.21
• 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]butanamide
• SMILES: CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(C)c6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H24N8O/c1-3-5-23(37)31-19-13-18(14-29-15-19)21-8-9-22-25(32-21)26(36-35-22)28-33-24-20(10-11-30-27(24)34-28)17-7-4-6-16(2)12-17/h4,6-15H,3,5H2,1-2H3,(H,31,37)(H,35,36)(H,30,33,34)
• InChIKey: DAHVVTZDRSKWFR-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.56
LogP ≤ 5	5.67
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]butanamide?

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]butanamide (CID 137308628) 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]butanamide.

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]butanamide?

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]butanamide is CCCC(=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]butanamide?

The InChIKey is DAHVVTZDRSKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-3-5-23(37)31-19-13-18(14-29-15-19)21-8-9-22-25(32-21)26(36-35-22)28-33-24-20(10-11-30-27(24)34-28)17-7-4-6-16(2)12-17/h4,6-15H,3,5H2,1-2H3,(H,31,37)(H,35,36)(H,30,33,34).

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]butanamide?

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 488.56 g/mol, XLogP of 5.67, 6 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]butanamide is sourced from PubChem (CID 137308628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).