1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide

C18H13ClN4OS — CID 134794448

IUPAC1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCc1ccsc1)c1nc(-c2ccc(Cl)cc2)c2cnccn12
InChIInChI=1S/C18H13ClN4OS/c19-14-3-1-13(2-4-14)16-15-10-20-6-7-23(15)17(22-16)18(24)21-9-12-5-8-25-11-12/h1-8,10-11H,9H2,(H,21,24)
InChIKeyOPDZUPHMKPGMNW-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide

1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134794448) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134794448
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCc1ccsc1)c1nc(-c2ccc(Cl)cc2)c2cnccn12
InChIInChI=1S/C18H13ClN4OS/c19-14-3-1-13(2-4-14)16-15-10-20-6-7-23(15)17(22-16)18(24)21-9-12-5-8-25-11-12/h1-8,10-11H,9H2,(H,21,24)
InChIKeyOPDZUPHMKPGMNW-UHFFFAOYSA-N
XLogP4.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide (CID 134794448) is 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide is O=C(NCc1ccsc1)c1nc(-c2ccc(Cl)cc2)c2cnccn12.
What is the InChIKey of 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is OPDZUPHMKPGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c19-14-3-1-13(2-4-14)16-15-10-20-6-7-23(15)17(22-16)18(24)21-9-12-5-8-25-11-12/h1-8,10-11H,9H2,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134794448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).