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

C29H24FN7O — CID 137033552

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

N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide (PubChem CID 137033552) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide
• PubChem CID: 137033552
• Molecular Formula: C29H24FN7O
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.20
• IUPAC Name: N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide
• SMILES: Cc1cc(NC(=O)C(C)C)cc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H24FN7O/c1-15(2)29(38)32-20-10-16(3)9-18(12-20)22-7-8-23-26(33-22)27(37-36-23)28-34-24-14-31-13-21(25(24)35-28)17-5-4-6-19(30)11-17/h4-15H,1-3H3,(H,32,38)(H,34,35)(H,36,37)
• InChIKey: HHMULGQKXBWOJY-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide (CID 137033552) is N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide is Cc1cc(NC(=O)C(C)C)cc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1.

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

The InChIKey is HHMULGQKXBWOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c1-15(2)29(38)32-20-10-16(3)9-18(12-20)22-7-8-23-26(33-22)27(37-36-23)28-34-24-14-31-13-21(25(24)35-28)17-5-4-6-19(30)11-17/h4-15H,1-3H3,(H,32,38)(H,34,35)(H,36,37).

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

N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide has a molecular weight of 505.56 g/mol, XLogP of 6.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 137033552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).