5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide

C15H13ClN4OS — CID 53166363

IUPAC5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccn2c(C3CCC3)nnc12)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN4OS/c16-12-7-6-11(22-12)15(21)17-10-5-2-8-20-13(9-3-1-4-9)18-19-14(10)20/h2,5-9H,1,3-4H2,(H,17,21)
InChIKeyMVWWCVXMQOBTKR-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.96
Rot. Bonds3

About 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide

5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (PubChem CID 53166363) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
PubChem CID53166363
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccn2c(C3CCC3)nnc12)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN4OS/c16-12-7-6-11(22-12)15(21)17-10-5-2-8-20-13(9-3-1-4-9)18-19-14(10)20/h2,5-9H,1,3-4H2,(H,17,21)
InChIKeyMVWWCVXMQOBTKR-UHFFFAOYSA-N
XLogP3.96
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}thiophene-2-carboxamide
CID 7708291
3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7693466
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7694192
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7708113
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)thiophene-2-carboxamide
CID 7711096
4-{6-Cyclobutaneamido-[1,2,4]triazolo[4,3-A]pyridin-3-YL}-N-[1-(thiophen-2-YL)ethyl]benzamide
CID 53159900
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-chlorobenzo[b]thiophene-2-carboxamide
CID 7709877
3-Methyl-N-{[1,2,4]triazolo[4,3-A]pyridin-8-YL}thiophene-2-carboxamide
CID 53166265
N~1~-(3-ethyl[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3-thienyl)acetamide
CID 53166322
N-{2-Methyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53190351
N-{2-Cyclobutyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53190519
N-(1-{6-Chloro-[1,2,4]triazolo[4,3-A]pyridin-3-YL}piperidin-4-YL)-2-(thiophen-2-YL)acetamide
CID 53203544

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (CID 53166363) is 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is O=C(Nc1cccn2c(C3CCC3)nnc12)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The InChIKey is MVWWCVXMQOBTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c16-12-7-6-11(22-12)15(21)17-10-5-2-8-20-13(9-3-1-4-9)18-19-14(10)20/h2,5-9H,1,3-4H2,(H,17,21).
What are the key properties of 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide has a molecular weight of 332.82 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53166363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).