2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C15H25N5O2 — CID 97406828

IUPAC2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCOCC(=O)N1CCn2c(CN3CCN(C)CC3)cnc2C1
InChIInChI=1S/C15H25N5O2/c1-17-3-5-18(6-4-17)10-13-9-16-14-11-19(7-8-20(13)14)15(21)12-22-2/h9H,3-8,10-12H2,1-2H3
InChIKeyNQIYXVQDWJUONZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.38
Rot. Bonds4

About 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 97406828) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID97406828
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCOCC(=O)N1CCn2c(CN3CCN(C)CC3)cnc2C1
InChIInChI=1S/C15H25N5O2/c1-17-3-5-18(6-4-17)10-13-9-16-14-11-19(7-8-20(13)14)15(21)12-22-2/h9H,3-8,10-12H2,1-2H3
InChIKeyNQIYXVQDWJUONZ-UHFFFAOYSA-N
XLogP-0.38
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 97406828) is 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is COCC(=O)N1CCn2c(CN3CCN(C)CC3)cnc2C1.
What is the InChIKey of 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is NQIYXVQDWJUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-17-3-5-18(6-4-17)10-13-9-16-14-11-19(7-8-20(13)14)15(21)12-22-2/h9H,3-8,10-12H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 307.40 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97406828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).