3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C31H34N6 — CID 71095809

IUPAC3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCCN(CCC)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C31H34N6/c1-3-15-36(16-4-2)25-18-24(19-25)31-35-28(29-30(32)33-14-17-37(29)31)23-11-10-22-12-13-26(34-27(22)20-23)21-8-6-5-7-9-21/h5-14,17,20,24-25H,3-4,15-16,18-19H2,1-2H3,(H2,32,33)
InChIKeyKJSLFYDFSSDNFI-UHFFFAOYSA-N
MW490.66 g/mol
LogP6.56
Rot. Bonds8

About 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71095809) has the molecular formula C31H34N6 and a molecular weight of 490.66 g/mol. Its IUPAC name is 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID71095809
Molecular FormulaC31H34N6
Molecular Weight490.66 g/mol
Exact Mass490.28
IUPAC Name3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCCN(CCC)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C31H34N6/c1-3-15-36(16-4-2)25-18-24(19-25)31-35-28(29-30(32)33-14-17-37(29)31)23-11-10-22-12-13-26(34-27(22)20-23)21-8-6-5-7-9-21/h5-14,17,20,24-25H,3-4,15-16,18-19H2,1-2H3,(H2,32,33)
InChIKeyKJSLFYDFSSDNFI-UHFFFAOYSA-N
XLogP6.56
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.66
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 71095809) is 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CCCN(CCC)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.
What is the InChIKey of 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is KJSLFYDFSSDNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6/c1-3-15-36(16-4-2)25-18-24(19-25)31-35-28(29-30(32)33-14-17-37(29)31)23-11-10-22-12-13-26(34-27(22)20-23)21-8-6-5-7-9-21/h5-14,17,20,24-25H,3-4,15-16,18-19H2,1-2H3,(H2,32,33).
What are the key properties of 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 490.66 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71095809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).