N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C16H18F2N4OS — CID 131644537

IUPACN-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CN(Cc2ccsc2)Cc2cncn21
InChIInChI=1S/C16H18F2N4OS/c17-16(18)3-12(4-16)20-15(23)14-8-21(6-11-1-2-24-9-11)7-13-5-19-10-22(13)14/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,20,23)
InChIKeyLLSMTICQUOTVMI-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.42
Rot. Bonds4

About N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 131644537) has the molecular formula C16H18F2N4OS and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID131644537
Molecular FormulaC16H18F2N4OS
Molecular Weight352.41 g/mol
Exact Mass352.12
IUPAC NameN-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CN(Cc2ccsc2)Cc2cncn21
InChIInChI=1S/C16H18F2N4OS/c17-16(18)3-12(4-16)20-15(23)14-8-21(6-11-1-2-24-9-11)7-13-5-19-10-22(13)14/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,20,23)
InChIKeyLLSMTICQUOTVMI-UHFFFAOYSA-N
XLogP2.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 131644537) is N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is O=C(NC1CC(F)(F)C1)C1CN(Cc2ccsc2)Cc2cncn21.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is LLSMTICQUOTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS/c17-16(18)3-12(4-16)20-15(23)14-8-21(6-11-1-2-24-9-11)7-13-5-19-10-22(13)14/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,20,23).
What are the key properties of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 131644537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).