methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C36H35FN2O4 — CID 118335756

About methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 118335756) has the molecular formula C36H35FN2O4 and a molecular weight of 578.68 g/mol. Its IUPAC name is methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 118335756
• Molecular Formula: C36H35FN2O4
• Molecular Weight: 578.68 g/mol
• Exact Mass: 578.26
• IUPAC Name: methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: COC(=O)[C@H](OC(C)(C)C)c1c(C)cn2cc(-c3cccc(-c4ccccc4F)c3)nc2c1-c1ccc2c(c1)CCCO2
• InChI: InChI=1S/C36H35FN2O4/c1-22-20-39-21-29(24-11-8-10-23(18-24)27-13-6-7-14-28(27)37)38-34(39)32(26-15-16-30-25(19-26)12-9-17-42-30)31(22)33(35(40)41-5)43-36(2,3)4/h6-8,10-11,13-16,18-21,33H,9,12,17H2,1-5H3/t33-/m1/s1
• InChIKey: QRQVQARMMRVRGK-MGBGTMOVSA-N
• XLogP: 8.14
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.68
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The IUPAC name of methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 118335756) is methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

What is the SMILES notation for methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The canonical SMILES for methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)[C@H](OC(C)(C)C)c1c(C)cn2cc(-c3cccc(-c4ccccc4F)c3)nc2c1-c1ccc2c(c1)CCCO2.

What is the InChIKey of methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The InChIKey is QRQVQARMMRVRGK-MGBGTMOVSA-N. The full InChI is InChI=1S/C36H35FN2O4/c1-22-20-39-21-29(24-11-8-10-23(18-24)27-13-6-7-14-28(27)37)38-34(39)32(26-15-16-30-25(19-26)12-9-17-42-30)31(22)33(35(40)41-5)43-36(2,3)4/h6-8,10-11,13-16,18-21,33H,9,12,17H2,1-5H3/t33-/m1/s1.

What are the key properties of methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 578.68 g/mol, XLogP of 8.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-2-[8-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 118335756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).