N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide

C17H18ClN5OS — CID 53203553

IUPACN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C17H18ClN5OS/c18-13-1-2-15-20-21-17(23(15)10-13)22-6-3-14(4-7-22)19-16(24)9-12-5-8-25-11-12/h1-2,5,8,10-11,14H,3-4,6-7,9H2,(H,19,24)
InChIKeyOTVISFDWCBXKIU-UHFFFAOYSA-N
MW375.89 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide

N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide (PubChem CID 53203553) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide
PubChem CID53203553
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C17H18ClN5OS/c18-13-1-2-15-20-21-17(23(15)10-13)22-6-3-14(4-7-22)19-16(24)9-12-5-8-25-11-12/h1-2,5,8,10-11,14H,3-4,6-7,9H2,(H,19,24)
InChIKeyOTVISFDWCBXKIU-UHFFFAOYSA-N
XLogP2.77
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide (CID 53203553) is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCN(c2nnc3ccc(Cl)cn23)CC1.
What is the InChIKey of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide?
The InChIKey is OTVISFDWCBXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c18-13-1-2-15-20-21-17(23(15)10-13)22-6-3-14(4-7-22)19-16(24)9-12-5-8-25-11-12/h1-2,5,8,10-11,14H,3-4,6-7,9H2,(H,19,24).
What are the key properties of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide?
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide has a molecular weight of 375.89 g/mol, XLogP of 2.77, 4 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]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 53203553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).