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

C32H28F2N2O3 — CID 118903016

IUPAC(2S)-2-[5-(4-fluorophenyl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc2nc(-c3cccc(-c4ccc(F)cc4)c3)cn2c(-c2ccc(F)cc2)c1[C@H](OC(C)(C)C)C(=O)O
InChIInChI=1S/C32H28F2N2O3/c1-19-16-27-35-26(23-7-5-6-22(17-23)20-8-12-24(33)13-9-20)18-36(27)29(21-10-14-25(34)15-11-21)28(19)30(31(37)38)39-32(2,3)4/h5-18,30H,1-4H3,(H,37,38)/t30-/m0/s1
InChIKeyMIJPTFLBHFQVRR-PMERELPUSA-N
MW526.58 g/mol
LogP7.86
Rot. Bonds6

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

(2S)-2-[5-(4-fluorophenyl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118903016) has the molecular formula C32H28F2N2O3 and a molecular weight of 526.58 g/mol. Its IUPAC name is (2S)-2-[5-(4-fluorophenyl)-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-(4-fluorophenyl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID118903016
Molecular FormulaC32H28F2N2O3
Molecular Weight526.58 g/mol
Exact Mass526.21
IUPAC Name(2S)-2-[5-(4-fluorophenyl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc2nc(-c3cccc(-c4ccc(F)cc4)c3)cn2c(-c2ccc(F)cc2)c1[C@H](OC(C)(C)C)C(=O)O
InChIInChI=1S/C32H28F2N2O3/c1-19-16-27-35-26(23-7-5-6-22(17-23)20-8-12-24(33)13-9-20)18-36(27)29(21-10-14-25(34)15-11-21)28(19)30(31(37)38)39-32(2,3)4/h5-18,30H,1-4H3,(H,37,38)/t30-/m0/s1
InChIKeyMIJPTFLBHFQVRR-PMERELPUSA-N
XLogP7.86
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.58
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4-fluorophenyl)-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-(4-fluorophenyl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118903016) is (2S)-2-[5-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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(-c2ccc(F)cc2)c1[C@H](OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[5-(4-fluorophenyl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is MIJPTFLBHFQVRR-PMERELPUSA-N. The full InChI is InChI=1S/C32H28F2N2O3/c1-19-16-27-35-26(23-7-5-6-22(17-23)20-8-12-24(33)13-9-20)18-36(27)29(21-10-14-25(34)15-11-21)28(19)30(31(37)38)39-32(2,3)4/h5-18,30H,1-4H3,(H,37,38)/t30-/m0/s1.
What are the key properties of (2S)-2-[5-(4-fluorophenyl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
(2S)-2-[5-(4-fluorophenyl)-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 526.58 g/mol, XLogP of 7.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(4-fluorophenyl)-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 118903016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).