1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide

C18H13FN4OS — CID 134793337

IUPAC1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2ccc(F)cc2)c2cnccn12
InChIInChI=1S/C18H13FN4OS/c19-13-5-3-12(4-6-13)16-15-11-20-7-8-23(15)17(22-16)18(24)21-10-14-2-1-9-25-14/h1-9,11H,10H2,(H,21,24)
InChIKeyCBNCCBRJLUOFGI-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide

1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134793337) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134793337
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2ccc(F)cc2)c2cnccn12
InChIInChI=1S/C18H13FN4OS/c19-13-5-3-12(4-6-13)16-15-11-20-7-8-23(15)17(22-16)18(24)21-10-14-2-1-9-25-14/h1-9,11H,10H2,(H,21,24)
InChIKeyCBNCCBRJLUOFGI-UHFFFAOYSA-N
XLogP3.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide (CID 134793337) is 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide is O=C(NCc1cccs1)c1nc(-c2ccc(F)cc2)c2cnccn12.
What is the InChIKey of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is CBNCCBRJLUOFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-13-5-3-12(4-6-13)16-15-11-20-7-8-23(15)17(22-16)18(24)21-10-14-2-1-9-25-14/h1-9,11H,10H2,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134793337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).