5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C16H18F2N6O4S — CID 166124473

IUPAC5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(C(C)(F)F)n3c(CS(=O)(=O)C(C)C)nnc23)o1
InChIInChI=1S/C16H18F2N6O4S/c1-8(2)29(26,27)7-12-21-22-13-10(5-6-11(24(12)13)16(4,17)18)14(25)19-15-23-20-9(3)28-15/h5-6,8H,7H2,1-4H3,(H,19,23,25)
InChIKeyUCDRKTRNCXCKNI-UHFFFAOYSA-N
MW428.42 g/mol
LogP2.11
Rot. Bonds6

About 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 166124473) has the molecular formula C16H18F2N6O4S and a molecular weight of 428.42 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID166124473
Molecular FormulaC16H18F2N6O4S
Molecular Weight428.42 g/mol
Exact Mass428.11
IUPAC Name5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(C(C)(F)F)n3c(CS(=O)(=O)C(C)C)nnc23)o1
InChIInChI=1S/C16H18F2N6O4S/c1-8(2)29(26,27)7-12-21-22-13-10(5-6-11(24(12)13)16(4,17)18)14(25)19-15-23-20-9(3)28-15/h5-6,8H,7H2,1-4H3,(H,19,23,25)
InChIKeyUCDRKTRNCXCKNI-UHFFFAOYSA-N
XLogP2.11
TPSA132.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

[2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-6-(trifluoromethyl)phenyl]methanesulfinic acid
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N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(propan-2-ylsulfonylmethyl)-5-[(R)-propylsulfinyl]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 175468796
3-fluoro-2-hydrazinyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
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2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105071358
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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 166124473) is 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1nnc(NC(=O)c2ccc(C(C)(F)F)n3c(CS(=O)(=O)C(C)C)nnc23)o1.
What is the InChIKey of 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is UCDRKTRNCXCKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O4S/c1-8(2)29(26,27)7-12-21-22-13-10(5-6-11(24(12)13)16(4,17)18)14(25)19-15-23-20-9(3)28-15/h5-6,8H,7H2,1-4H3,(H,19,23,25).
What are the key properties of 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 166124473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).