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

C17H23N5O2 — CID 97406822

IUPACfuran-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCN1CCN(Cc2cnc3n2CCN(C(=O)c2ccoc2)C3)CC1
InChIInChI=1S/C17H23N5O2/c1-19-3-5-20(6-4-19)11-15-10-18-16-12-21(7-8-22(15)16)17(23)14-2-9-24-13-14/h2,9-10,13H,3-8,11-12H2,1H3
InChIKeyRCUDKHOUIXGKGE-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.88
Rot. Bonds3

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

furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97406822) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID97406822
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Namefuran-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCN1CCN(Cc2cnc3n2CCN(C(=O)c2ccoc2)C3)CC1
InChIInChI=1S/C17H23N5O2/c1-19-3-5-20(6-4-19)11-15-10-18-16-12-21(7-8-22(15)16)17(23)14-2-9-24-13-14/h2,9-10,13H,3-8,11-12H2,1H3
InChIKeyRCUDKHOUIXGKGE-UHFFFAOYSA-N
XLogP0.88
TPSA57.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97406822) is furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is CN1CCN(Cc2cnc3n2CCN(C(=O)c2ccoc2)C3)CC1.
What is the InChIKey of furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is RCUDKHOUIXGKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-19-3-5-20(6-4-19)11-15-10-18-16-12-21(7-8-22(15)16)17(23)14-2-9-24-13-14/h2,9-10,13H,3-8,11-12H2,1H3.
What are the key properties of furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97406822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).