methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate

C28H23F3N2O4 — CID 149376437

About methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate

methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 149376437) has the molecular formula C28H23F3N2O4 and a molecular weight of 508.50 g/mol. Its IUPAC name is methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

• Compound Name: methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate
• PubChem CID: 149376437
• Molecular Formula: C28H23F3N2O4
• Molecular Weight: 508.50 g/mol
• Exact Mass: 508.16
• IUPAC Name: methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate
• SMILES: COC(=O)[C@@H]1Cc2cccc(F)c2[C@H]1CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12
• InChI: InChI=1S/C28H23F3N2O4/c1-15-26(23(34)13-17-18(28(35)36-2)12-16-6-3-9-22(31)25(16)17)33-11-5-10-24(27(33)32-15)37-14-19-20(29)7-4-8-21(19)30/h3-11,17-18H,12-14H2,1-2H3/t17-,18+/m0/s1
• InChIKey: YKUYDDDLSPZYOC-ZWKOTPCHSA-N
• XLogP: 5.34
• TPSA: 69.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

The IUPAC name of methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate (CID 149376437) is methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate.

What is the SMILES notation for methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

The canonical SMILES for methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)[C@@H]1Cc2cccc(F)c2[C@H]1CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12.

What is the InChIKey of methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

The InChIKey is YKUYDDDLSPZYOC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C28H23F3N2O4/c1-15-26(23(34)13-17-18(28(35)36-2)12-16-6-3-9-22(31)25(16)17)33-11-5-10-24(27(33)32-15)37-14-19-20(29)7-4-8-21(19)30/h3-11,17-18H,12-14H2,1-2H3/t17-,18+/m0/s1.

What are the key properties of methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 508.50 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 149376437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).