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

C28H23FN8O — CID 137135233

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

N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 137135233) has the molecular formula C28H23FN8O and a molecular weight of 506.55 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
• PubChem CID: 137135233
• Molecular Formula: C28H23FN8O
• Molecular Weight: 506.55 g/mol
• Exact Mass: 506.20
• IUPAC Name: N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2F)c1
• InChI: InChI=1S/C28H23FN8O/c1-15(2)11-22(38)33-17-12-16(13-30-14-17)18-6-7-21-23(24(18)29)26(37-36-21)28-34-25-19(8-10-32-27(25)35-28)20-5-3-4-9-31-20/h3-10,12-15H,11H2,1-2H3,(H,33,38)(H,36,37)(H,32,34,35)
• InChIKey: ZNRVAAPECFDXAA-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.55
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 137135233) is N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2F)c1.

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

The InChIKey is ZNRVAAPECFDXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN8O/c1-15(2)11-22(38)33-17-12-16(13-30-14-17)18-6-7-21-23(24(18)29)26(37-36-21)28-34-25-19(8-10-32-27(25)35-28)20-5-3-4-9-31-20/h3-10,12-15H,11H2,1-2H3,(H,33,38)(H,36,37)(H,32,34,35).

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

N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 506.55 g/mol, XLogP of 5.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 137135233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).