N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C29H23F2N7O — CID 137134281

About N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 137134281) has the molecular formula C29H23F2N7O and a molecular weight of 523.55 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 137134281
• Molecular Formula: C29H23F2N7O
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.19
• IUPAC Name: N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H23F2N7O/c1-29(2,3)28(39)34-17-10-16(13-32-14-17)15-11-20-23(22(31)12-15)37-38-25(20)27-35-24-19(8-9-33-26(24)36-27)18-6-4-5-7-21(18)30/h4-14H,1-3H3,(H,34,39)(H,37,38)(H,33,35,36)
• InChIKey: PWKXDSWNIQLQNF-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 137134281) is N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The InChIKey is PWKXDSWNIQLQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N7O/c1-29(2,3)28(39)34-17-10-16(13-32-14-17)15-11-20-23(22(31)12-15)37-38-25(20)27-35-24-19(8-9-33-26(24)36-27)18-6-4-5-7-21(18)30/h4-14H,1-3H3,(H,34,39)(H,37,38)(H,33,35,36).

What are the key properties of N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 523.55 g/mol, XLogP of 6.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 137134281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).