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

C16H16ClN5OS — CID 53203509

IUPAC5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccccn23)CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClN5OS/c17-13-5-4-12(24-13)15(23)18-11-6-9-21(10-7-11)16-20-19-14-3-1-2-8-22(14)16/h1-5,8,11H,6-7,9-10H2,(H,18,23)
InChIKeyPVQQHJJIZHVEQY-UHFFFAOYSA-N
MW361.86 g/mol
LogP2.84
Rot. Bonds3

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

5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 53203509) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID53203509
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccccn23)CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClN5OS/c17-13-5-4-12(24-13)15(23)18-11-6-9-21(10-7-11)16-20-19-14-3-1-2-8-22(14)16/h1-5,8,11H,6-7,9-10H2,(H,18,23)
InChIKeyPVQQHJJIZHVEQY-UHFFFAOYSA-N
XLogP2.84
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide (CID 53203509) is 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2nnc3ccccn23)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is PVQQHJJIZHVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c17-13-5-4-12(24-13)15(23)18-11-6-9-21(10-7-11)16-20-19-14-3-1-2-8-22(14)16/h1-5,8,11H,6-7,9-10H2,(H,18,23).
What are the key properties of 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 361.86 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53203509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).