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

C30H25FN6O — CID 166866282

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

N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide (PubChem CID 166866282) has the molecular formula C30H25FN6O and a molecular weight of 504.57 g/mol. Its IUPAC name is N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide
• PubChem CID: 166866282
• Molecular Formula: C30H25FN6O
• Molecular Weight: 504.57 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide
• SMILES: Cc1cc(NC(=O)C(C)C)cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H25FN6O/c1-16(2)30(38)33-20-11-17(3)10-19(12-20)18-8-9-25-22(13-18)28(37-36-25)29-34-26-15-32-14-23(27(26)35-29)21-6-4-5-7-24(21)31/h4-16H,1-3H3,(H,33,38)(H,34,35)(H,36,37)
• InChIKey: CAPDWRPRYVHOFD-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.57
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide (CID 166866282) is N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide is Cc1cc(NC(=O)C(C)C)cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1.

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

The InChIKey is CAPDWRPRYVHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O/c1-16(2)30(38)33-20-11-17(3)10-19(12-20)18-8-9-25-22(13-18)28(37-36-25)29-34-26-15-32-14-23(27(26)35-29)21-6-4-5-7-24(21)31/h4-16H,1-3H3,(H,33,38)(H,34,35)(H,36,37).

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

N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide has a molecular weight of 504.57 g/mol, XLogP of 6.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 166866282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).