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

C18H28ClN5 — CID 143541254

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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Related Compounds

8-chloro-3-cyclohexyl-1-methylimidazo[1,5-a]pyrazine
CID 143744436
4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde
CID 163730469
3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane
CID 143744477
1-[4-[3-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone
CID 130348988
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 143120632
methoxy-[4-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclopentyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374344
(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
CID 90283041
3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 59133032
1-(4-methoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763143
1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]quinolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 130348980
3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 178092720

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).