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8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane

C18H28ClN5 — CID 143541254

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane
SMILESCC.Cc1nc(C2CC(N3CCN(C)CC3)C2)n2ccnc(Cl)c12
InChIInChI=1S/C16H22ClN5.C2H6/c1-11-14-15(17)18-3-4-22(14)16(19-11)12-9-13(10-12)21-7-5-20(2)6-8-21;1-2/h3-4,12-13H,5-10H2,1-2H3;1-2H3
InChIKeyXFXOHUDVDSIHON-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.21
Rot. Bonds2

About 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane

8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane (PubChem CID 143541254) has the molecular formula C18H28ClN5 and a molecular weight of 349.91 g/mol. Its IUPAC name is 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane.

Molecular Properties

Compound Name8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane
PubChem CID143541254
Molecular FormulaC18H28ClN5
Molecular Weight349.91 g/mol
Exact Mass349.20
IUPAC Name8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane
SMILESCC.Cc1nc(C2CC(N3CCN(C)CC3)C2)n2ccnc(Cl)c12
InChIInChI=1S/C16H22ClN5.C2H6/c1-11-14-15(17)18-3-4-22(14)16(19-11)12-9-13(10-12)21-7-5-20(2)6-8-21;1-2/h3-4,12-13H,5-10H2,1-2H3;1-2H3
InChIKeyXFXOHUDVDSIHON-UHFFFAOYSA-N
XLogP3.21
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane?
The IUPAC name of 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane (CID 143541254) is 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane.
What is the SMILES notation for 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane?
The canonical SMILES for 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane is CC.Cc1nc(C2CC(N3CCN(C)CC3)C2)n2ccnc(Cl)c12.
What is the InChIKey of 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane?
The InChIKey is XFXOHUDVDSIHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5.C2H6/c1-11-14-15(17)18-3-4-22(14)16(19-11)12-9-13(10-12)21-7-5-20(2)6-8-21;1-2/h3-4,12-13H,5-10H2,1-2H3;1-2H3.
What are the key properties of 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane?
8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane has a molecular weight of 349.91 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane is sourced from PubChem (CID 143541254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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