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

C17H22N6O — CID 97390376

IUPAC2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(NCc2cn3c(n2)CN(C(=O)CC2CC2)CC3)nn1
InChIInChI=1S/C17H22N6O/c1-12-2-5-15(21-20-12)18-9-14-10-22-6-7-23(11-16(22)19-14)17(24)8-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,21)
InChIKeyFMHPCFCHRXOLMW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.74
Rot. Bonds5

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

2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 97390376) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID97390376
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(NCc2cn3c(n2)CN(C(=O)CC2CC2)CC3)nn1
InChIInChI=1S/C17H22N6O/c1-12-2-5-15(21-20-12)18-9-14-10-22-6-7-23(11-16(22)19-14)17(24)8-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,21)
InChIKeyFMHPCFCHRXOLMW-UHFFFAOYSA-N
XLogP1.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 97390376) is 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is Cc1ccc(NCc2cn3c(n2)CN(C(=O)CC2CC2)CC3)nn1.
What is the InChIKey of 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is FMHPCFCHRXOLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-2-5-15(21-20-12)18-9-14-10-22-6-7-23(11-16(22)19-14)17(24)8-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,21).
What are the key properties of 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97390376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).