2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid

C19H17F3N2O3 — CID 150659112

IUPAC2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(-c2ccc(C(F)(F)F)cc2)nc2cc(OC)ccn12
InChIInChI=1S/C19H17F3N2O3/c1-3-14(18(25)26)17-16(11-4-6-12(7-5-11)19(20,21)22)23-15-10-13(27-2)8-9-24(15)17/h4-10,14H,3H2,1-2H3,(H,25,26)
InChIKeyJDMKWPZNRDVCLW-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.61
Rot. Bonds5

About 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid

2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid (PubChem CID 150659112) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid.

Molecular Properties

Compound Name2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid
PubChem CID150659112
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(-c2ccc(C(F)(F)F)cc2)nc2cc(OC)ccn12
InChIInChI=1S/C19H17F3N2O3/c1-3-14(18(25)26)17-16(11-4-6-12(7-5-11)19(20,21)22)23-15-10-13(27-2)8-9-24(15)17/h4-10,14H,3H2,1-2H3,(H,25,26)
InChIKeyJDMKWPZNRDVCLW-UHFFFAOYSA-N
XLogP4.61
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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GPR40 agonist 5
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3-[3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]propanoic acid
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CID 24892525
CID 24892525
3-[4-[(2-Phenylimidazo[1,2-a]pyridin-6-yl)methoxy]phenyl]hex-4-ynoic acid
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3-[4-[[2-(4-Fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The IUPAC name of 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid (CID 150659112) is 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid.
What is the SMILES notation for 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The canonical SMILES for 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid is CCC(C(=O)O)c1c(-c2ccc(C(F)(F)F)cc2)nc2cc(OC)ccn12.
What is the InChIKey of 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The InChIKey is JDMKWPZNRDVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-3-14(18(25)26)17-16(11-4-6-12(7-5-11)19(20,21)22)23-15-10-13(27-2)8-9-24(15)17/h4-10,14H,3H2,1-2H3,(H,25,26).
What are the key properties of 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid?
2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid has a molecular weight of 378.35 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]butanoic acid is sourced from PubChem (CID 150659112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).