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

C17H13F3N2O3 — CID 175338498

IUPAC2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCOc1ccn2c(CC(=O)O)c(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C17H13F3N2O3/c1-25-12-6-7-22-13(9-15(23)24)16(21-14(22)8-12)10-2-4-11(5-3-10)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)
InChIKeyZGTINUBUFCKWOY-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.66
Rot. Bonds4

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

2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 175338498) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID175338498
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCOc1ccn2c(CC(=O)O)c(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C17H13F3N2O3/c1-25-12-6-7-22-13(9-15(23)24)16(21-14(22)8-12)10-2-4-11(5-3-10)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)
InChIKeyZGTINUBUFCKWOY-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]acetic acid?
The IUPAC name of 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 175338498) is 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid is COc1ccn2c(CC(=O)O)c(-c3ccc(C(F)(F)F)cc3)nc2c1.
What is the InChIKey of 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is ZGTINUBUFCKWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-25-12-6-7-22-13(9-15(23)24)16(21-14(22)8-12)10-2-4-11(5-3-10)17(18,19)20/h2-8H,9H2,1H3,(H,23,24).
What are the key properties of 2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 350.30 g/mol, XLogP of 3.66, 4 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]acetic acid is sourced from PubChem (CID 175338498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).