3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C30H30N6O — CID 11670378

IUPAC3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(CN4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H30N6O/c31-29-28-27(23-7-6-22-8-9-25(33-26(22)18-23)21-4-2-1-3-5-21)34-30(36(28)11-10-32-29)24-16-20(17-24)19-35-12-14-37-15-13-35/h1-11,18,20,24H,12-17,19H2,(H2,31,32)
InChIKeyPQOGAQAOZACONT-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.02
Rot. Bonds5

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

3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11670378) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11670378
Molecular FormulaC30H30N6O
Molecular Weight490.61 g/mol
Exact Mass490.25
IUPAC Name3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(CN4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H30N6O/c31-29-28-27(23-7-6-22-8-9-25(33-26(22)18-23)21-4-2-1-3-5-21)34-30(36(28)11-10-32-29)24-16-20(17-24)19-35-12-14-37-15-13-35/h1-11,18,20,24H,12-17,19H2,(H2,31,32)
InChIKeyPQOGAQAOZACONT-UHFFFAOYSA-N
XLogP5.02
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 11670378) is 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CC(CN4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is PQOGAQAOZACONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O/c31-29-28-27(23-7-6-22-8-9-25(33-26(22)18-23)21-4-2-1-3-5-21)34-30(36(28)11-10-32-29)24-16-20(17-24)19-35-12-14-37-15-13-35/h1-11,18,20,24H,12-17,19H2,(H2,31,32).
What are the key properties of 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 490.61 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11670378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).