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

C15H10F2N6OS — CID 118180416

IUPAC8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C=O)cn23)s1
InChIInChI=1S/C15H10F2N6OS/c1-8-2-3-12(25-8)11-5-18-14-10(4-9(7-24)6-22(11)14)23-15(13(16)17)19-20-21-23/h2-7,13H,1H3
InChIKeyXJXVKTZPJFQSOS-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.10
Rot. Bonds4

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

8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 118180416) has the molecular formula C15H10F2N6OS and a molecular weight of 360.35 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID118180416
Molecular FormulaC15H10F2N6OS
Molecular Weight360.35 g/mol
Exact Mass360.06
IUPAC Name8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C=O)cn23)s1
InChIInChI=1S/C15H10F2N6OS/c1-8-2-3-12(25-8)11-5-18-14-10(4-9(7-24)6-22(11)14)23-15(13(16)17)19-20-21-23/h2-7,13H,1H3
InChIKeyXJXVKTZPJFQSOS-UHFFFAOYSA-N
XLogP3.10
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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-carbaldehyde?
The IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde (CID 118180416) is 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde is Cc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C=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-carbaldehyde?
The InChIKey is XJXVKTZPJFQSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6OS/c1-8-2-3-12(25-8)11-5-18-14-10(4-9(7-24)6-22(11)14)23-15(13(16)17)19-20-21-23/h2-7,13H,1H3.
What are the key properties of 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde?
8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 360.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 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-carbaldehyde is sourced from PubChem (CID 118180416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).