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

C23H26ClN5S — CID 118725186

IUPACN-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCc1cccc(C)c1Nc1ncc(-c2ccc(CN3CCCC3)s2)n2cncc12.Cl
InChIInChI=1S/C23H25N5S.ClH/c1-16-6-5-7-17(2)22(16)26-23-20-12-24-15-28(20)19(13-25-23)21-9-8-18(29-21)14-27-10-3-4-11-27;/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,25,26);1H
InChIKeyVHODWRUYCQKVLT-UHFFFAOYSA-N
MW440.02 g/mol
LogP5.84
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride (PubChem CID 118725186) has the molecular formula C23H26ClN5S and a molecular weight of 440.02 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride
PubChem CID118725186
Molecular FormulaC23H26ClN5S
Molecular Weight440.02 g/mol
Exact Mass439.16
IUPAC NameN-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCc1cccc(C)c1Nc1ncc(-c2ccc(CN3CCCC3)s2)n2cncc12.Cl
InChIInChI=1S/C23H25N5S.ClH/c1-16-6-5-7-17(2)22(16)26-23-20-12-24-15-28(20)19(13-25-23)21-9-8-18(29-21)14-27-10-3-4-11-27;/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,25,26);1H
InChIKeyVHODWRUYCQKVLT-UHFFFAOYSA-N
XLogP5.84
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.02
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride (CID 118725186) is N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride is Cc1cccc(C)c1Nc1ncc(-c2ccc(CN3CCCC3)s2)n2cncc12.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The InChIKey is VHODWRUYCQKVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5S.ClH/c1-16-6-5-7-17(2)22(16)26-23-20-12-24-15-28(20)19(13-25-23)21-9-8-18(29-21)14-27-10-3-4-11-27;/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,25,26);1H.
What are the key properties of N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride has a molecular weight of 440.02 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride is sourced from PubChem (CID 118725186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).