1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide

C19H16N4O2S — CID 134795384

IUPAC1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NCc2cccs2)n2ccncc12
InChIInChI=1S/C19H16N4O2S/c1-25-16-7-3-2-6-14(16)17-15-12-20-8-9-23(15)18(22-17)19(24)21-11-13-5-4-10-26-13/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyJMQUPUIHYWQHPA-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.40
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide

1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134795384) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134795384
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NCc2cccs2)n2ccncc12
InChIInChI=1S/C19H16N4O2S/c1-25-16-7-3-2-6-14(16)17-15-12-20-8-9-23(15)18(22-17)19(24)21-11-13-5-4-10-26-13/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyJMQUPUIHYWQHPA-UHFFFAOYSA-N
XLogP3.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide (CID 134795384) is 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide is COc1ccccc1-c1nc(C(=O)NCc2cccs2)n2ccncc12.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is JMQUPUIHYWQHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-16-7-3-2-6-14(16)17-15-12-20-8-9-23(15)18(22-17)19(24)21-11-13-5-4-10-26-13/h2-10,12H,11H2,1H3,(H,21,24).
What are the key properties of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134795384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).