3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C21H15F3N4O3 — CID 118101495

IUPAC3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1
InChIInChI=1S/C21H15F3N4O3/c1-31-14-10-15(19-18(20(29)30)27-17-4-2-3-9-28(17)19)26-16(11-14)25-13-7-5-12(6-8-13)21(22,23)24/h2-11H,1H3,(H,25,26)(H,29,30)
InChIKeyLNGUFPJUUPVPKP-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.87
Rot. Bonds5

About 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid

3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 118101495) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID118101495
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC Name3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1
InChIInChI=1S/C21H15F3N4O3/c1-31-14-10-15(19-18(20(29)30)27-17-4-2-3-9-28(17)19)26-16(11-14)25-13-7-5-12(6-8-13)21(22,23)24/h2-11H,1H3,(H,25,26)(H,29,30)
InChIKeyLNGUFPJUUPVPKP-UHFFFAOYSA-N
XLogP4.87
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 118101495) is 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid is COc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1.
What is the InChIKey of 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is LNGUFPJUUPVPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c1-31-14-10-15(19-18(20(29)30)27-17-4-2-3-9-28(17)19)26-16(11-14)25-13-7-5-12(6-8-13)21(22,23)24/h2-11H,1H3,(H,25,26)(H,29,30).
What are the key properties of 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 428.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 118101495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).