methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C25H23F4N5O3 — CID 166774914

About methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 166774914) has the molecular formula C25H23F4N5O3 and a molecular weight of 517.48 g/mol. Its IUPAC name is methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• PubChem CID: 166774914
• Molecular Formula: C25H23F4N5O3
• Molecular Weight: 517.48 g/mol
• Exact Mass: 517.17
• IUPAC Name: methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• SMILES: COC(=O)N1CCOC(Cc2c(-c3c(F)cc(-c4ccn(C(F)F)n4)cc3F)nc3cc(C)ccn23)C1
• InChI: InChI=1S/C25H23F4N5O3/c1-14-3-5-33-20(12-16-13-32(7-8-37-16)25(35)36-2)23(30-21(33)9-14)22-17(26)10-15(11-18(22)27)19-4-6-34(31-19)24(28)29/h3-6,9-11,16,24H,7-8,12-13H2,1-2H3
• InChIKey: JXFJHMSYFZHYBB-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 73.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.48
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The IUPAC name of methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 166774914) is methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

What is the SMILES notation for methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The canonical SMILES for methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCOC(Cc2c(-c3c(F)cc(-c4ccn(C(F)F)n4)cc3F)nc3cc(C)ccn23)C1.

What is the InChIKey of methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The InChIKey is JXFJHMSYFZHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N5O3/c1-14-3-5-33-20(12-16-13-32(7-8-37-16)25(35)36-2)23(30-21(33)9-14)22-17(26)10-15(11-18(22)27)19-4-6-34(31-19)24(28)29/h3-6,9-11,16,24H,7-8,12-13H2,1-2H3.

What are the key properties of methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 517.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 166774914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).