N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide

C17H15ClF3N5OS — CID 53203558

IUPACN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccc(Cl)cn23)CC1)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C17H15ClF3N5OS/c18-10-1-4-14-23-24-16(26(14)9-10)25-7-5-11(6-8-25)22-15(27)12-2-3-13(28-12)17(19,20)21/h1-4,9,11H,5-8H2,(H,22,27)
InChIKeyVARQFOXHAFKHSV-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide

N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53203558) has the molecular formula C17H15ClF3N5OS and a molecular weight of 429.86 g/mol. Its IUPAC name is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53203558
Molecular FormulaC17H15ClF3N5OS
Molecular Weight429.86 g/mol
Exact Mass429.06
IUPAC NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccc(Cl)cn23)CC1)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C17H15ClF3N5OS/c18-10-1-4-14-23-24-16(26(14)9-10)25-7-5-11(6-8-25)22-15(27)12-2-3-13(28-12)17(19,20)21/h1-4,9,11H,5-8H2,(H,22,27)
InChIKeyVARQFOXHAFKHSV-UHFFFAOYSA-N
XLogP3.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53203558) is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(NC1CCN(c2nnc3ccc(Cl)cn23)CC1)c1ccc(C(F)(F)F)s1.
What is the InChIKey of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is VARQFOXHAFKHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5OS/c18-10-1-4-14-23-24-16(26(14)9-10)25-7-5-11(6-8-25)22-15(27)12-2-3-13(28-12)17(19,20)21/h1-4,9,11H,5-8H2,(H,22,27).
What are the key properties of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 429.86 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53203558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).