1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea

C23H27N9O4S — CID 56932240

IUPAC1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCCc4nnc(C5CC5)o4)nn3c2)c1
InChIInChI=1S/C23H27N9O4S/c1-23(2,3)31-37(34,35)17-10-16(11-24-12-17)15-6-7-18-26-21(30-32(18)13-15)27-22(33)25-9-8-19-28-29-20(36-19)14-4-5-14/h6-7,10-14,31H,4-5,8-9H2,1-3H3,(H2,25,27,30,33)
InChIKeyFPXFSAATUVYBTG-UHFFFAOYSA-N
MW525.60 g/mol
LogP2.49
Rot. Bonds8

About 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea

1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea (PubChem CID 56932240) has the molecular formula C23H27N9O4S and a molecular weight of 525.60 g/mol. Its IUPAC name is 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea
PubChem CID56932240
Molecular FormulaC23H27N9O4S
Molecular Weight525.60 g/mol
Exact Mass525.19
IUPAC Name1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCCc4nnc(C5CC5)o4)nn3c2)c1
InChIInChI=1S/C23H27N9O4S/c1-23(2,3)31-37(34,35)17-10-16(11-24-12-17)15-6-7-18-26-21(30-32(18)13-15)27-22(33)25-9-8-19-28-29-20(36-19)14-4-5-14/h6-7,10-14,31H,4-5,8-9H2,1-3H3,(H2,25,27,30,33)
InChIKeyFPXFSAATUVYBTG-UHFFFAOYSA-N
XLogP2.49
TPSA169.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea (CID 56932240) is 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea is CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCCc4nnc(C5CC5)o4)nn3c2)c1.
What is the InChIKey of 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea?
The InChIKey is FPXFSAATUVYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O4S/c1-23(2,3)31-37(34,35)17-10-16(11-24-12-17)15-6-7-18-26-21(30-32(18)13-15)27-22(33)25-9-8-19-28-29-20(36-19)14-4-5-14/h6-7,10-14,31H,4-5,8-9H2,1-3H3,(H2,25,27,30,33).
What are the key properties of 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea?
1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea has a molecular weight of 525.60 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]urea is sourced from PubChem (CID 56932240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).