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

C16H11F2N5O2S — CID 118168504

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4nncc4C(F)F)cc(C(=O)O)cn23)s1
InChIInChI=1S/C16H11F2N5O2S/c1-8-2-3-13(26-8)11-5-19-15-10(4-9(16(24)25)7-22(11)15)23-12(14(17)18)6-20-21-23/h2-7,14H,1H3,(H,24,25)
InChIKeyICKFDZMELDVBAR-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.59
Rot. Bonds4

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

8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168504) has the molecular formula C16H11F2N5O2S and a molecular weight of 375.36 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168504
Molecular FormulaC16H11F2N5O2S
Molecular Weight375.36 g/mol
Exact Mass375.06
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4nncc4C(F)F)cc(C(=O)O)cn23)s1
InChIInChI=1S/C16H11F2N5O2S/c1-8-2-3-13(26-8)11-5-19-15-10(4-9(16(24)25)7-22(11)15)23-12(14(17)18)6-20-21-23/h2-7,14H,1H3,(H,24,25)
InChIKeyICKFDZMELDVBAR-UHFFFAOYSA-N
XLogP3.59
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168504) is 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2cnc3c(-n4nncc4C(F)F)cc(C(=O)O)cn23)s1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is ICKFDZMELDVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O2S/c1-8-2-3-13(26-8)11-5-19-15-10(4-9(16(24)25)7-22(11)15)23-12(14(17)18)6-20-21-23/h2-7,14H,1H3,(H,24,25).
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 375.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).