6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C20H17F4N3O2 — CID 68744867

IUPAC6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1CN1CCCC1
InChIInChI=1S/C20H17F4N3O2/c21-14-5-3-4-12(8-14)13-9-15(20(22,23)24)18-25-17(19(28)29)16(27(18)10-13)11-26-6-1-2-7-26/h3-5,8-10H,1-2,6-7,11H2,(H,28,29)
InChIKeyXIHQJNVCPHPALH-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.45
Rot. Bonds4

About 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68744867) has the molecular formula C20H17F4N3O2 and a molecular weight of 407.37 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68744867
Molecular FormulaC20H17F4N3O2
Molecular Weight407.37 g/mol
Exact Mass407.13
IUPAC Name6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1CN1CCCC1
InChIInChI=1S/C20H17F4N3O2/c21-14-5-3-4-12(8-14)13-9-15(20(22,23)24)18-25-17(19(28)29)16(27(18)10-13)11-26-6-1-2-7-26/h3-5,8-10H,1-2,6-7,11H2,(H,28,29)
InChIKeyXIHQJNVCPHPALH-UHFFFAOYSA-N
XLogP4.45
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68744867) is 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1CN1CCCC1.
What is the InChIKey of 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is XIHQJNVCPHPALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O2/c21-14-5-3-4-12(8-14)13-9-15(20(22,23)24)18-25-17(19(28)29)16(27(18)10-13)11-26-6-1-2-7-26/h3-5,8-10H,1-2,6-7,11H2,(H,28,29).
What are the key properties of 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 407.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68744867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).