6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C19H13F3N4O2 — CID 122510710

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C19H13F3N4O2/c20-13-4-1-11(2-5-13)17-18(25(10-24-17)9-15(21)22)12-3-6-16-23-7-14(19(27)28)26(16)8-12/h1-8,10,15H,9H2,(H,27,28)
InChIKeySXMMTBVNDVYKJP-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.97
Rot. Bonds5

About 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 122510710) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID122510710
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C19H13F3N4O2/c20-13-4-1-11(2-5-13)17-18(25(10-24-17)9-15(21)22)12-3-6-16-23-7-14(19(27)28)26(16)8-12/h1-8,10,15H,9H2,(H,27,28)
InChIKeySXMMTBVNDVYKJP-UHFFFAOYSA-N
XLogP3.97
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 122510710) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is SXMMTBVNDVYKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c20-13-4-1-11(2-5-13)17-18(25(10-24-17)9-15(21)22)12-3-6-16-23-7-14(19(27)28)26(16)8-12/h1-8,10,15H,9H2,(H,27,28).
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 386.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 122510710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).