N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride

C24H29ClN6S — CID 118725208

IUPACN-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCc1cccc(C)c1Nc1ncc(-c2ccc(CN3CCN(C)CC3)s2)n2cncc12.Cl
InChIInChI=1S/C24H28N6S.ClH/c1-17-5-4-6-18(2)23(17)27-24-21-13-25-16-30(21)20(14-26-24)22-8-7-19(31-22)15-29-11-9-28(3)10-12-29;/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,27);1H
InChIKeyGVAXHHUMWYNJBJ-UHFFFAOYSA-N
MW469.06 g/mol
LogP4.99
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride

N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride (PubChem CID 118725208) has the molecular formula C24H29ClN6S and a molecular weight of 469.06 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride
PubChem CID118725208
Molecular FormulaC24H29ClN6S
Molecular Weight469.06 g/mol
Exact Mass468.19
IUPAC NameN-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCc1cccc(C)c1Nc1ncc(-c2ccc(CN3CCN(C)CC3)s2)n2cncc12.Cl
InChIInChI=1S/C24H28N6S.ClH/c1-17-5-4-6-18(2)23(17)27-24-21-13-25-16-30(21)20(14-26-24)22-8-7-19(31-22)15-29-11-9-28(3)10-12-29;/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,27);1H
InChIKeyGVAXHHUMWYNJBJ-UHFFFAOYSA-N
XLogP4.99
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.06
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride (CID 118725208) is N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride is Cc1cccc(C)c1Nc1ncc(-c2ccc(CN3CCN(C)CC3)s2)n2cncc12.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The InChIKey is GVAXHHUMWYNJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6S.ClH/c1-17-5-4-6-18(2)23(17)27-24-21-13-25-16-30(21)20(14-26-24)22-8-7-19(31-22)15-29-11-9-28(3)10-12-29;/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,27);1H.
What are the key properties of N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride has a molecular weight of 469.06 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride is sourced from PubChem (CID 118725208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).