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

C12H16F2N4O3S — CID 131643429

IUPACN-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCS(=O)(=O)N1Cc2cncn2C(C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C12H16F2N4O3S/c1-22(20,21)17-5-9-4-15-7-18(9)10(6-17)11(19)16-8-2-12(13,14)3-8/h4,7-8,10H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyCUODFDXWCMOVIQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.11
Rot. Bonds3

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

N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 131643429) has the molecular formula C12H16F2N4O3S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID131643429
Molecular FormulaC12H16F2N4O3S
Molecular Weight334.35 g/mol
Exact Mass334.09
IUPAC NameN-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCS(=O)(=O)N1Cc2cncn2C(C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C12H16F2N4O3S/c1-22(20,21)17-5-9-4-15-7-18(9)10(6-17)11(19)16-8-2-12(13,14)3-8/h4,7-8,10H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyCUODFDXWCMOVIQ-UHFFFAOYSA-N
XLogP0.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.11
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-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 131643429) is N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is CS(=O)(=O)N1Cc2cncn2C(C(=O)NC2CC(F)(F)C2)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is CUODFDXWCMOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O3S/c1-22(20,21)17-5-9-4-15-7-18(9)10(6-17)11(19)16-8-2-12(13,14)3-8/h4,7-8,10H,2-3,5-6H2,1H3,(H,16,19).
What are the key properties of N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 0.11, 3 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-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 131643429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).