2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C17H28N4O — CID 131653028

IUPAC2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)CC1CC1)C2C
InChIInChI=1S/C17H28N4O/c1-12(2)19(4)11-15-10-18-17-13(3)20(7-8-21(15)17)16(22)9-14-5-6-14/h10,12-14H,5-9,11H2,1-4H3
InChIKeyXFUNRHNJMMHCQV-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.43
Rot. Bonds5

About 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 131653028) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID131653028
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)CC1CC1)C2C
InChIInChI=1S/C17H28N4O/c1-12(2)19(4)11-15-10-18-17-13(3)20(7-8-21(15)17)16(22)9-14-5-6-14/h10,12-14H,5-9,11H2,1-4H3
InChIKeyXFUNRHNJMMHCQV-UHFFFAOYSA-N
XLogP2.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 131653028) is 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is CC(C)N(C)Cc1cnc2n1CCN(C(=O)CC1CC1)C2C.
What is the InChIKey of 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is XFUNRHNJMMHCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)19(4)11-15-10-18-17-13(3)20(7-8-21(15)17)16(22)9-14-5-6-14/h10,12-14H,5-9,11H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 304.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 131653028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).