8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C20H17F2N9O2S — CID 118168036

IUPAC8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1noc(C(C)NC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)n1
InChIInChI=1S/C20H17F2N9O2S/c1-9-4-5-15(34-9)14-7-23-17-13(31-18(16(21)22)26-28-29-31)6-12(8-30(14)17)19(32)24-10(2)20-25-11(3)27-33-20/h4-8,10,16H,1-3H3,(H,24,32)
InChIKeySDRMTHREVDLRSP-UHFFFAOYSA-N
MW485.48 g/mol
LogP3.47
Rot. Bonds6

About 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168036) has the molecular formula C20H17F2N9O2S and a molecular weight of 485.48 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168036
Molecular FormulaC20H17F2N9O2S
Molecular Weight485.48 g/mol
Exact Mass485.12
IUPAC Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1noc(C(C)NC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)n1
InChIInChI=1S/C20H17F2N9O2S/c1-9-4-5-15(34-9)14-7-23-17-13(31-18(16(21)22)26-28-29-31)6-12(8-30(14)17)19(32)24-10(2)20-25-11(3)27-33-20/h4-8,10,16H,1-3H3,(H,24,32)
InChIKeySDRMTHREVDLRSP-UHFFFAOYSA-N
XLogP3.47
TPSA128.92 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168036) is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1noc(C(C)NC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)n1.
What is the InChIKey of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is SDRMTHREVDLRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N9O2S/c1-9-4-5-15(34-9)14-7-23-17-13(31-18(16(21)22)26-28-29-31)6-12(8-30(14)17)19(32)24-10(2)20-25-11(3)27-33-20/h4-8,10,16H,1-3H3,(H,24,32).
What are the key properties of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 485.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).