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

C35H33FN2O4 — CID 118902990

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

(2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118902990) has the molecular formula C35H33FN2O4 and a molecular weight of 564.66 g/mol. Its IUPAC name is (2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: (2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 118902990
• Molecular Formula: C35H33FN2O4
• Molecular Weight: 564.66 g/mol
• Exact Mass: 564.24
• IUPAC Name: (2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc2nc(-c3cccc(-c4ccc(F)cc4)c3)cn2c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C35H33FN2O4/c1-21-17-30-37-28(24-8-5-7-23(18-24)22-10-13-27(36)14-11-22)20-38(30)32(31(21)33(34(39)40)42-35(2,3)4)26-12-15-29-25(19-26)9-6-16-41-29/h5,7-8,10-15,17-20,33H,6,9,16H2,1-4H3,(H,39,40)/t33-/m0/s1
• InChIKey: YJSBGGUZMDXGOR-XIFFEERXSA-N
• XLogP: 8.05
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.66
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118902990) is (2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

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

The canonical SMILES for (2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2nc(-c3cccc(-c4ccc(F)cc4)c3)cn2c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O.

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

The InChIKey is YJSBGGUZMDXGOR-XIFFEERXSA-N. The full InChI is InChI=1S/C35H33FN2O4/c1-21-17-30-37-28(24-8-5-7-23(18-24)22-10-13-27(36)14-11-22)20-38(30)32(31(21)33(34(39)40)42-35(2,3)4)26-12-15-29-25(19-26)9-6-16-41-29/h5,7-8,10-15,17-20,33H,6,9,16H2,1-4H3,(H,39,40)/t33-/m0/s1.

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

(2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 564.66 g/mol, XLogP of 8.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118902990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).