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

C28H23N7O — CID 148715668

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

N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 148715668) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 148715668
• Molecular Formula: C28H23N7O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.20
• IUPAC Name: N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(C)c6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H23N7O/c1-3-24(36)30-19-13-18(14-29-15-19)21-10-11-23-26(31-21)27(35-34-23)28-32-22-9-5-8-20(25(22)33-28)17-7-4-6-16(2)12-17/h4-15H,3H2,1-2H3,(H,30,36)(H,32,33)(H,34,35)
• InChIKey: NYBHCXYLGUCNHZ-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 148715668) is N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(C)c6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is NYBHCXYLGUCNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-3-24(36)30-19-13-18(14-29-15-19)21-10-11-23-26(31-21)27(35-34-23)28-32-22-9-5-8-20(25(22)33-28)17-7-4-6-16(2)12-17/h4-15H,3H2,1-2H3,(H,30,36)(H,32,33)(H,34,35).

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

N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 473.54 g/mol, XLogP of 5.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 148715668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).