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

C28H21F2N7O — CID 137135104

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

N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 137135104) has the molecular formula C28H21F2N7O and a molecular weight of 509.52 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 137135104
• Molecular Formula: C28H21F2N7O
• Molecular Weight: 509.52 g/mol
• Exact Mass: 509.18
• IUPAC Name: N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3c2F)c1
• InChI: InChI=1S/C28H21F2N7O/c1-14(2)28(38)33-18-11-16(12-31-13-18)19-6-7-21-22(23(19)30)25(37-36-21)27-34-24-20(8-9-32-26(24)35-27)15-4-3-5-17(29)10-15/h3-14H,1-2H3,(H,33,38)(H,36,37)(H,32,34,35)
• InChIKey: AQWCFAVPOJNRRD-UHFFFAOYSA-N
• XLogP: 6.10
• 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	509.52
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 137135104) is N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3c2F)c1.

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

The InChIKey is AQWCFAVPOJNRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N7O/c1-14(2)28(38)33-18-11-16(12-31-13-18)19-6-7-21-22(23(19)30)25(37-36-21)27-34-24-20(8-9-32-26(24)35-27)15-4-3-5-17(29)10-15/h3-14H,1-2H3,(H,33,38)(H,36,37)(H,32,34,35).

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

N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 509.52 g/mol, XLogP of 6.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 137135104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).