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

C12H15F2IN4O — CID 139530379

IUPAC3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(I)c2C1
InChIInChI=1S/C12H15F2IN4O/c1-16-11(20)18-2-3-19-8(6-18)9(15)17-10(19)7-4-12(13,14)5-7/h7H,2-6H2,1H3,(H,16,20)
InChIKeyFLTBRFHEGRJCTK-UHFFFAOYSA-N
MW396.18 g/mol
LogP2.16
Rot. Bonds1

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

3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530379) has the molecular formula C12H15F2IN4O and a molecular weight of 396.18 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530379
Molecular FormulaC12H15F2IN4O
Molecular Weight396.18 g/mol
Exact Mass396.03
IUPAC Name3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(I)c2C1
InChIInChI=1S/C12H15F2IN4O/c1-16-11(20)18-2-3-19-8(6-18)9(15)17-10(19)7-4-12(13,14)5-7/h7H,2-6H2,1H3,(H,16,20)
InChIKeyFLTBRFHEGRJCTK-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
Urea,n,n-dimethyl-n'-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76850573
3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530377
3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530410
3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139543510
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
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 154742684
1-[3-(4,4-difluorocyclohexyl)-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 159284522
1-[3-(3,3-difluorocyclobutyl)-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 159390788
1-[3-(3,3-difluorocyclobutyl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 160074950
3-Cyclobutyl-1-iodo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 130056831

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530379) is 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(I)c2C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is FLTBRFHEGRJCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2IN4O/c1-16-11(20)18-2-3-19-8(6-18)9(15)17-10(19)7-4-12(13,14)5-7/h7H,2-6H2,1H3,(H,16,20).
What are the key properties of 3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 396.18 g/mol, XLogP of 2.16, 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)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).