3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C27H25N5 — CID 70905183

IUPAC3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C27H25N5/c1-16-12-20(13-16)27-31-24(25-26(28)29-10-11-32(25)27)19-8-9-21-17(2)14-22(30-23(21)15-19)18-6-4-3-5-7-18/h3-11,14-16,20H,12-13H2,1-2H3,(H2,28,29)
InChIKeyWAGILMGIMBGABQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP6.02
Rot. Bonds3

About 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 70905183) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID70905183
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C27H25N5/c1-16-12-20(13-16)27-31-24(25-26(28)29-10-11-32(25)27)19-8-9-21-17(2)14-22(30-23(21)15-19)18-6-4-3-5-7-18/h3-11,14-16,20H,12-13H2,1-2H3,(H2,28,29)
InChIKeyWAGILMGIMBGABQ-UHFFFAOYSA-N
XLogP6.02
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 70905183) is 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Cc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)C4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is WAGILMGIMBGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5/c1-16-12-20(13-16)27-31-24(25-26(28)29-10-11-32(25)27)19-8-9-21-17(2)14-22(30-23(21)15-19)18-6-4-3-5-7-18/h3-11,14-16,20H,12-13H2,1-2H3,(H2,28,29).
What are the key properties of 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 419.53 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 70905183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).