methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

C16H12F2N6O2S — CID 118168005

IUPACmethyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1
InChIInChI=1S/C16H12F2N6O2S/c1-8-3-4-12(27-8)11-6-19-14-10(24-15(13(17)18)20-21-22-24)5-9(7-23(11)14)16(25)26-2/h3-7,13H,1-2H3
InChIKeyLVQIQBWLWFKHCD-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.07
Rot. Bonds4

About methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 118168005) has the molecular formula C16H12F2N6O2S and a molecular weight of 390.38 g/mol. Its IUPAC name is methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID118168005
Molecular FormulaC16H12F2N6O2S
Molecular Weight390.38 g/mol
Exact Mass390.07
IUPAC Namemethyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1
InChIInChI=1S/C16H12F2N6O2S/c1-8-3-4-12(27-8)11-6-19-14-10(24-15(13(17)18)20-21-22-24)5-9(7-23(11)14)16(25)26-2/h3-7,13H,1-2H3
InChIKeyLVQIQBWLWFKHCD-UHFFFAOYSA-N
XLogP3.07
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 118168005) is methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1.
What is the InChIKey of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is LVQIQBWLWFKHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O2S/c1-8-3-4-12(27-8)11-6-19-14-10(24-15(13(17)18)20-21-22-24)5-9(7-23(11)14)16(25)26-2/h3-7,13H,1-2H3.
What are the key properties of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 390.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 118168005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).