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

C15H10F2N6O2S — CID 118168171

IUPAC8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C(=O)O)cn23)s1
InChIInChI=1S/C15H10F2N6O2S/c1-7-2-3-11(26-7)10-5-18-13-9(4-8(15(24)25)6-22(10)13)23-14(12(16)17)19-20-21-23/h2-6,12H,1H3,(H,24,25)
InChIKeyWPJFIWYVORPQOL-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.98
Rot. Bonds4

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

8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168171) has the molecular formula C15H10F2N6O2S and a molecular weight of 376.35 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168171
Molecular FormulaC15H10F2N6O2S
Molecular Weight376.35 g/mol
Exact Mass376.06
IUPAC Name8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C(=O)O)cn23)s1
InChIInChI=1S/C15H10F2N6O2S/c1-7-2-3-11(26-7)10-5-18-13-9(4-8(15(24)25)6-22(10)13)23-14(12(16)17)19-20-21-23/h2-6,12H,1H3,(H,24,25)
InChIKeyWPJFIWYVORPQOL-UHFFFAOYSA-N
XLogP2.98
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168171) is 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C(=O)O)cn23)s1.
What is the InChIKey of 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is WPJFIWYVORPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6O2S/c1-7-2-3-11(26-7)10-5-18-13-9(4-8(15(24)25)6-22(10)13)23-14(12(16)17)19-20-21-23/h2-6,12H,1H3,(H,24,25).
What are the key properties of 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 376.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).