5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide

C29H27F5N6O3 — CID 123286323

About 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide

5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide (PubChem CID 123286323) has the molecular formula C29H27F5N6O3 and a molecular weight of 602.56 g/mol. Its IUPAC name is 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide.

Molecular Properties

• Compound Name: 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide
• PubChem CID: 123286323
• Molecular Formula: C29H27F5N6O3
• Molecular Weight: 602.56 g/mol
• Exact Mass: 602.21
• IUPAC Name: 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide
• SMILES: CCCOc1ccc(-c2cc(C(CCCn3cnc4c3C=CN(c3cccc(F)c3F)N4)C(N)=O)on2)c(C(F)(F)F)c1
• InChI: InChI=1S/C29H27F5N6O3/c1-2-13-42-17-8-9-18(20(14-17)29(32,33)34)22-15-25(43-38-22)19(27(35)41)5-4-11-39-16-36-28-24(39)10-12-40(37-28)23-7-3-6-21(30)26(23)31/h3,6-10,12,14-16,19,37H,2,4-5,11,13H2,1H3,(H2,35,41)
• InChIKey: IDJLMRBOAAOHLC-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 111.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.56
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?

The IUPAC name of 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide (CID 123286323) is 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide.

What is the SMILES notation for 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?

The canonical SMILES for 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide is CCCOc1ccc(-c2cc(C(CCCn3cnc4c3C=CN(c3cccc(F)c3F)N4)C(N)=O)on2)c(C(F)(F)F)c1.

What is the InChIKey of 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?

The InChIKey is IDJLMRBOAAOHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F5N6O3/c1-2-13-42-17-8-9-18(20(14-17)29(32,33)34)22-15-25(43-38-22)19(27(35)41)5-4-11-39-16-36-28-24(39)10-12-40(37-28)23-7-3-6-21(30)26(23)31/h3,6-10,12,14-16,19,37H,2,4-5,11,13H2,1H3,(H2,35,41).

What are the key properties of 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?

5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide has a molecular weight of 602.56 g/mol, XLogP of 6.49, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide is sourced from PubChem (CID 123286323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).