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

C33H31FN2O3 — CID 118903052

IUPAC(2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)cc3nc(-c4cccc(-c5ccc(F)cc5)c4)cn23)cc1
InChIInChI=1S/C33H31FN2O3/c1-20-9-11-23(12-10-20)30-29(31(32(37)38)39-33(3,4)5)21(2)17-28-35-27(19-36(28)30)25-8-6-7-24(18-25)22-13-15-26(34)16-14-22/h6-19,31H,1-5H3,(H,37,38)/t31-/m0/s1
InChIKeyYWHKHXPMEHFJPS-HKBQPEDESA-N
MW522.62 g/mol
LogP8.03
Rot. Bonds6

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

(2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118903052) has the molecular formula C33H31FN2O3 and a molecular weight of 522.62 g/mol. Its IUPAC name is (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name(2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID118903052
Molecular FormulaC33H31FN2O3
Molecular Weight522.62 g/mol
Exact Mass522.23
IUPAC Name(2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)cc3nc(-c4cccc(-c5ccc(F)cc5)c4)cn23)cc1
InChIInChI=1S/C33H31FN2O3/c1-20-9-11-23(12-10-20)30-29(31(32(37)38)39-33(3,4)5)21(2)17-28-35-27(19-36(28)30)25-8-6-7-24(18-25)22-13-15-26(34)16-14-22/h6-19,31H,1-5H3,(H,37,38)/t31-/m0/s1
InChIKeyYWHKHXPMEHFJPS-HKBQPEDESA-N
XLogP8.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.62
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[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-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118903052) is (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)cc3nc(-c4cccc(-c5ccc(F)cc5)c4)cn23)cc1.
What is the InChIKey of (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is YWHKHXPMEHFJPS-HKBQPEDESA-N. The full InChI is InChI=1S/C33H31FN2O3/c1-20-9-11-23(12-10-20)30-29(31(32(37)38)39-33(3,4)5)21(2)17-28-35-27(19-36(28)30)25-8-6-7-24(18-25)22-13-15-26(34)16-14-22/h6-19,31H,1-5H3,(H,37,38)/t31-/m0/s1.
What are the key properties of (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
(2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 522.62 g/mol, XLogP of 8.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[3-(4-fluorophenyl)phenyl]-7-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118903052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).