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

C36H35N7O — CID 71763377

IUPAC3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5c(Oc6ccccc6)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C36H35N7O/c1-41-16-18-42(19-17-41)27-20-26(21-27)36-40-33(34-35(37)38-14-15-43(34)36)25-12-13-29-31(22-25)39-30(24-8-4-2-5-9-24)23-32(29)44-28-10-6-3-7-11-28/h2-15,22-23,26-27H,16-21H2,1H3,(H2,37,38)
InChIKeyRTWHQHGPEWAKAU-UHFFFAOYSA-N
MW581.72 g/mol
LogP6.48
Rot. Bonds6

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

3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71763377) has the molecular formula C36H35N7O and a molecular weight of 581.72 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID71763377
Molecular FormulaC36H35N7O
Molecular Weight581.72 g/mol
Exact Mass581.29
IUPAC Name3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5c(Oc6ccccc6)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C36H35N7O/c1-41-16-18-42(19-17-41)27-20-26(21-27)36-40-33(34-35(37)38-14-15-43(34)36)25-12-13-29-31(22-25)39-30(24-8-4-2-5-9-24)23-32(29)44-28-10-6-3-7-11-28/h2-15,22-23,26-27H,16-21H2,1H3,(H2,37,38)
InChIKeyRTWHQHGPEWAKAU-UHFFFAOYSA-N
XLogP6.48
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 71763377) is 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CN1CCN(C2CC(c3nc(-c4ccc5c(Oc6ccccc6)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is RTWHQHGPEWAKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N7O/c1-41-16-18-42(19-17-41)27-20-26(21-27)36-40-33(34-35(37)38-14-15-43(34)36)25-12-13-29-31(22-25)39-30(24-8-4-2-5-9-24)23-32(29)44-28-10-6-3-7-11-28/h2-15,22-23,26-27H,16-21H2,1H3,(H2,37,38).
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 581.72 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71763377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).