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

C13H18F2N4O — CID 139543510

IUPAC3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(C)c2C1
InChIInChI=1S/C13H18F2N4O/c1-8-10-7-18(12(20)16-2)3-4-19(10)11(17-8)9-5-13(14,15)6-9/h9H,3-7H2,1-2H3,(H,16,20)
InChIKeyKTDNXXWAVIDOEY-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.86
Rot. Bonds1

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

3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139543510) has the molecular formula C13H18F2N4O and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139543510
Molecular FormulaC13H18F2N4O
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(C)c2C1
InChIInChI=1S/C13H18F2N4O/c1-8-10-7-18(12(20)16-2)3-4-19(10)11(17-8)9-5-13(14,15)6-9/h9H,3-7H2,1-2H3,(H,16,20)
InChIKeyKTDNXXWAVIDOEY-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Acetamide,n-methyl-n-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76848928
Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro-1-methyl-3-(trifluoromethyl)-
CID 76849746
Urea,n,n-dimethyl-n'-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76850573
3-Ethyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 129972703
3-Propan-2-yl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 129972763
3-Methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 129972797
3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530377
3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530379
3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530410
3-(4,4-difluorocyclohexyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139556316
1,1-Dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea;hydrochloride
CID 141290541
3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine
CID 143807544

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139543510) is 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(C)c2C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is KTDNXXWAVIDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O/c1-8-10-7-18(12(20)16-2)3-4-19(10)11(17-8)9-5-13(14,15)6-9/h9H,3-7H2,1-2H3,(H,16,20).
What are the key properties of 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139543510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).