2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid

C32H26F2N2O3 — CID 118335759

About 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid

2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid (PubChem CID 118335759) has the molecular formula C32H26F2N2O3 and a molecular weight of 524.57 g/mol. Its IUPAC name is 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid
• PubChem CID: 118335759
• Molecular Formula: C32H26F2N2O3
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.19
• IUPAC Name: 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid
• SMILES: Cc1cn2cc(-c3cccc(-c4ccc(F)cc4)c3)nc2c(-c2cc(F)c3c(c2C)CCCO3)c1CC(=O)O
• InChI: InChI=1S/C32H26F2N2O3/c1-18-16-36-17-28(22-6-3-5-21(13-22)20-8-10-23(33)11-9-20)35-32(36)30(25(18)15-29(37)38)26-14-27(34)31-24(19(26)2)7-4-12-39-31/h3,5-6,8-11,13-14,16-17H,4,7,12,15H2,1-2H3,(H,37,38)
• InChIKey: WCOYZKPNHPDSNU-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid?

The IUPAC name of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid (CID 118335759) is 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid.

What is the SMILES notation for 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid?

The canonical SMILES for 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid is Cc1cn2cc(-c3cccc(-c4ccc(F)cc4)c3)nc2c(-c2cc(F)c3c(c2C)CCCO3)c1CC(=O)O.

What is the InChIKey of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid?

The InChIKey is WCOYZKPNHPDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N2O3/c1-18-16-36-17-28(22-6-3-5-21(13-22)20-8-10-23(33)11-9-20)35-32(36)30(25(18)15-29(37)38)26-14-27(34)31-24(19(26)2)7-4-12-39-31/h3,5-6,8-11,13-14,16-17H,4,7,12,15H2,1-2H3,(H,37,38).

What are the key properties of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid?

2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid has a molecular weight of 524.57 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid is sourced from PubChem (CID 118335759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).