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

C28H31N7S — CID 59133032

IUPAC3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(C4=CC5N=C(c6ccccc6)SC5C=C4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C28H31N7S/c1-33-11-13-34(14-12-33)21-15-20(16-21)27-32-24(25-26(29)30-9-10-35(25)27)19-7-8-23-22(17-19)31-28(36-23)18-5-3-2-4-6-18/h2-10,17,20-23H,11-16H2,1H3,(H2,29,30)
InChIKeyCEIHLVHGSYOLNN-UHFFFAOYSA-N
MW497.67 g/mol
LogP3.69
Rot. Bonds4

About 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

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 (PubChem CID 59133032) has the molecular formula C28H31N7S and a molecular weight of 497.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID59133032
Molecular FormulaC28H31N7S
Molecular Weight497.67 g/mol
Exact Mass497.24
IUPAC Name3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(C4=CC5N=C(c6ccccc6)SC5C=C4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C28H31N7S/c1-33-11-13-34(14-12-33)21-15-20(16-21)27-32-24(25-26(29)30-9-10-35(25)27)19-7-8-23-22(17-19)31-28(36-23)18-5-3-2-4-6-18/h2-10,17,20-23H,11-16H2,1H3,(H2,29,30)
InChIKeyCEIHLVHGSYOLNN-UHFFFAOYSA-N
XLogP3.69
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 143120632
1-(4-methoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763143
3-[8-amino-1-(1-ethyl-2-phenyl-3a,7a-dihydrobenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 70954038
1-(2-phenyl-8,8a-dihydroquinolin-7-yl)-3-(3-piperazin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 71095817
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 158065296
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
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 143120652
1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 159825330
1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 58023045
3-[3-(diethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(dimethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-ethylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 160638646

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(C2CC(c3nc(C4=CC5N=C(c6ccccc6)SC5C=C4)c4c(N)nccn34)C2)CC1.
What is the InChIKey of 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?
The InChIKey is CEIHLVHGSYOLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7S/c1-33-11-13-34(14-12-33)21-15-20(16-21)27-32-24(25-26(29)30-9-10-35(25)27)19-7-8-23-22(17-19)31-28(36-23)18-5-3-2-4-6-18/h2-10,17,20-23H,11-16H2,1H3,(H2,29,30).
What are the key properties of 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?
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 has a molecular weight of 497.67 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59133032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).