1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C25H26N6 — CID 130348820

IUPAC1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESC/C(=N\Cc1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1N
InChIInChI=1S/C25H26N6/c1-16(29-15-17-6-3-2-4-7-17)20-11-10-19(14-21(20)26)22-23-24(27)28-12-13-31(23)25(30-22)18-8-5-9-18/h2-4,6-7,10-14,18H,5,8-9,15,26H2,1H3,(H2,27,28)/b29-16+
InChIKeyJFQYCQWVISDSJS-MUFRIFMGSA-N
MW410.53 g/mol
LogP4.84
Rot. Bonds5

About 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 130348820) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID130348820
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESC/C(=N\Cc1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1N
InChIInChI=1S/C25H26N6/c1-16(29-15-17-6-3-2-4-7-17)20-11-10-19(14-21(20)26)22-23-24(27)28-12-13-31(23)25(30-22)18-8-5-9-18/h2-4,6-7,10-14,18H,5,8-9,15,26H2,1H3,(H2,27,28)/b29-16+
InChIKeyJFQYCQWVISDSJS-MUFRIFMGSA-N
XLogP4.84
TPSA94.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
3-cyclobutyl-1-(1-hydroxy-2-phenyl-2H-quinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 152504832
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927
1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 59852808
7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
CID 68898257
3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 70921906

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 130348820) is 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is C/C(=N\Cc1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1N.
What is the InChIKey of 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is JFQYCQWVISDSJS-MUFRIFMGSA-N. The full InChI is InChI=1S/C25H26N6/c1-16(29-15-17-6-3-2-4-7-17)20-11-10-19(14-21(20)26)22-23-24(27)28-12-13-31(23)25(30-22)18-8-5-9-18/h2-4,6-7,10-14,18H,5,8-9,15,26H2,1H3,(H2,27,28)/b29-16+.
What are the key properties of 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 410.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 130348820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).