1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone

C11H14IN3O — CID 139530360

IUPAC1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(I)c2C1
InChIInChI=1S/C11H14IN3O/c1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8/h8H,2-6H2,1H3
InChIKeyIGPMKVXFDSFALB-UHFFFAOYSA-N
MW331.16 g/mol
LogP1.73
Rot. Bonds1

About 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone

1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone (PubChem CID 139530360) has the molecular formula C11H14IN3O and a molecular weight of 331.16 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
PubChem CID139530360
Molecular FormulaC11H14IN3O
Molecular Weight331.16 g/mol
Exact Mass331.02
IUPAC Name1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(I)c2C1
InChIInChI=1S/C11H14IN3O/c1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8/h8H,2-6H2,1H3
InChIKeyIGPMKVXFDSFALB-UHFFFAOYSA-N
XLogP1.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530505
3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 138635844
4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde
CID 139543526
1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530417
tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 138635797
3-cyclopropyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83837678
1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 163235685
1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one
CID 126773598
1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530508
2-[3-(7-acetyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)azetidin-1-yl]-1-phenylethanone;2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158322536
3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530483
3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530313

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The IUPAC name of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone (CID 139530360) is 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone is CC(=O)N1CCn2c(C3CC3)nc(I)c2C1.
What is the InChIKey of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The InChIKey is IGPMKVXFDSFALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O/c1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8/h8H,2-6H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone has a molecular weight of 331.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 139530360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).