potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate

C28H23F3KN3O3 — CID 140680534

About potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate

potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 140680534) has the molecular formula C28H23F3KN3O3 and a molecular weight of 545.60 g/mol. Its IUPAC name is potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

• Compound Name: potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate
• PubChem CID: 140680534
• Molecular Formula: C28H23F3KN3O3
• Molecular Weight: 545.60 g/mol
• Exact Mass: 545.13
• IUPAC Name: potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate
• SMILES: Cc1nc2cc(F)c(-c3ccc(C4CC5C(C4)C5C(=O)[O-])nc3)cn2c1Cc1ccccc1OC(F)F.[K+]
• InChI: InChI=1S/C28H24F3N3O3.K/c1-14-23(10-15-4-2-3-5-24(15)37-28(30)31)34-13-20(21(29)11-25(34)33-14)16-6-7-22(32-12-16)17-8-18-19(9-17)26(18)27(35)36;/h2-7,11-13,17-19,26,28H,8-10H2,1H3,(H,35,36);/q;+1/p-1
• InChIKey: RYLGQUXZBYZWPZ-UHFFFAOYSA-M
• XLogP: 1.53
• TPSA: 79.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.60
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate?

The IUPAC name of potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate (CID 140680534) is potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate.

What is the SMILES notation for potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate?

The canonical SMILES for potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate is Cc1nc2cc(F)c(-c3ccc(C4CC5C(C4)C5C(=O)[O-])nc3)cn2c1Cc1ccccc1OC(F)F.[K+].

What is the InChIKey of potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate?

The InChIKey is RYLGQUXZBYZWPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H24F3N3O3.K/c1-14-23(10-15-4-2-3-5-24(15)37-28(30)31)34-13-20(21(29)11-25(34)33-14)16-6-7-22(32-12-16)17-8-18-19(9-17)26(18)27(35)36;/h2-7,11-13,17-19,26,28H,8-10H2,1H3,(H,35,36);/q;+1/p-1.

What are the key properties of potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate?

potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 545.60 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 140680534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).