potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate

C26H24F2KN5O4 — CID 118235680

About potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate

potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate (PubChem CID 118235680) has the molecular formula C26H24F2KN5O4 and a molecular weight of 547.60 g/mol. Its IUPAC name is potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate.

Molecular Properties

• Compound Name: potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate
• PubChem CID: 118235680
• Molecular Formula: C26H24F2KN5O4
• Molecular Weight: 547.60 g/mol
• Exact Mass: 547.14
• IUPAC Name: potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate
• SMILES: Cc1nc2ccc(-c3cnc(N4CCOC(C)(C(=O)[O-])C4)nc3)cn2c1Cc1ccccc1OC(F)F.[K+]
• InChI: InChI=1S/C26H25F2N5O4.K/c1-16-20(11-17-5-3-4-6-21(17)37-24(27)28)33-14-18(7-8-22(33)31-16)19-12-29-25(30-13-19)32-9-10-36-26(2,15-32)23(34)35;/h3-8,12-14,24H,9-11,15H2,1-2H3,(H,34,35);/q;+1/p-1
• InChIKey: DFKZXUFRBNDXMX-UHFFFAOYSA-M
• XLogP: -0.36
• TPSA: 104.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.60
LogP ≤ 5	-0.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate?

The IUPAC name of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate (CID 118235680) is potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate.

What is the SMILES notation for potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate?

The canonical SMILES for potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate is Cc1nc2ccc(-c3cnc(N4CCOC(C)(C(=O)[O-])C4)nc3)cn2c1Cc1ccccc1OC(F)F.[K+].

What is the InChIKey of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate?

The InChIKey is DFKZXUFRBNDXMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H25F2N5O4.K/c1-16-20(11-17-5-3-4-6-21(17)37-24(27)28)33-14-18(7-8-22(33)31-16)19-12-29-25(30-13-19)32-9-10-36-26(2,15-32)23(34)35;/h3-8,12-14,24H,9-11,15H2,1-2H3,(H,34,35);/q;+1/p-1.

What are the key properties of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate?

potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate has a molecular weight of 547.60 g/mol, XLogP of -0.36, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate is sourced from PubChem (CID 118235680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).