N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide

C20H16ClN3OS — CID 134792701

IUPACN-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccsc2)c2ccccn12
InChIInChI=1S/C20H16ClN3OS/c21-16-6-4-14(5-7-16)8-10-22-20(25)19-23-18(15-9-12-26-13-15)17-3-1-2-11-24(17)19/h1-7,9,11-13H,8,10H2,(H,22,25)
InChIKeyNCVZBIPKHHPFJF-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.69
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 134792701) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID134792701
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccsc2)c2ccccn12
InChIInChI=1S/C20H16ClN3OS/c21-16-6-4-14(5-7-16)8-10-22-20(25)19-23-18(15-9-12-26-13-15)17-3-1-2-11-24(17)19/h1-7,9,11-13H,8,10H2,(H,22,25)
InChIKeyNCVZBIPKHHPFJF-UHFFFAOYSA-N
XLogP4.69
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide (CID 134792701) is N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccsc2)c2ccccn12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NCVZBIPKHHPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-16-6-4-14(5-7-16)8-10-22-20(25)19-23-18(15-9-12-26-13-15)17-3-1-2-11-24(17)19/h1-7,9,11-13H,8,10H2,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134792701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).