[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone

C17H28N6O2 — CID 97467466

IUPAC[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(Cc2cn3c(n2)CN(C(=O)N2CCOCC2)CC3)CC1
InChIInChI=1S/C17H28N6O2/c1-19-2-4-20(5-3-19)12-15-13-22-6-7-23(14-16(22)18-15)17(24)21-8-10-25-11-9-21/h13H,2-12,14H2,1H3
InChIKeyNFBWRDFOQIYBAM-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.10
Rot. Bonds2

About [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone

[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone (PubChem CID 97467466) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone
PubChem CID97467466
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(Cc2cn3c(n2)CN(C(=O)N2CCOCC2)CC3)CC1
InChIInChI=1S/C17H28N6O2/c1-19-2-4-20(5-3-19)12-15-13-22-6-7-23(14-16(22)18-15)17(24)21-8-10-25-11-9-21/h13H,2-12,14H2,1H3
InChIKeyNFBWRDFOQIYBAM-UHFFFAOYSA-N
XLogP-0.10
TPSA57.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone (CID 97467466) is [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone is CN1CCN(Cc2cn3c(n2)CN(C(=O)N2CCOCC2)CC3)CC1.
What is the InChIKey of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is NFBWRDFOQIYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-19-2-4-20(5-3-19)12-15-13-22-6-7-23(14-16(22)18-15)17(24)21-8-10-25-11-9-21/h13H,2-12,14H2,1H3.
What are the key properties of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone?
[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 348.45 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97467466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).