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

C35H32N6O2 — CID 71763839

IUPAC3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C35H32N6O2/c36-34-33-32(39-35(41(33)14-13-37-34)25-19-26(20-25)40-15-17-42-18-16-40)24-11-12-28-30(21-24)38-29(23-7-3-1-4-8-23)22-31(28)43-27-9-5-2-6-10-27/h1-14,21-22,25-26H,15-20H2,(H2,36,37)
InChIKeyUBOGNPWVQNKJRP-UHFFFAOYSA-N
MW568.68 g/mol
LogP6.56
Rot. Bonds6

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

3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71763839) has the molecular formula C35H32N6O2 and a molecular weight of 568.68 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID71763839
Molecular FormulaC35H32N6O2
Molecular Weight568.68 g/mol
Exact Mass568.26
IUPAC Name3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C35H32N6O2/c36-34-33-32(39-35(41(33)14-13-37-34)25-19-26(20-25)40-15-17-42-18-16-40)24-11-12-28-30(21-24)38-29(23-7-3-1-4-8-23)22-31(28)43-27-9-5-2-6-10-27/h1-14,21-22,25-26H,15-20H2,(H2,36,37)
InChIKeyUBOGNPWVQNKJRP-UHFFFAOYSA-N
XLogP6.56
TPSA90.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763143
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 58023045
3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;1-[4-[3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;1-[4-[3-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 158563657
4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]-N,N-dimethylpiperazine-1-carboxamide;(3R)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol;(3S)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol
CID 161145921
3-[3-(diethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(dimethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-ethylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 160638646
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 71763839) is 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is UBOGNPWVQNKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N6O2/c36-34-33-32(39-35(41(33)14-13-37-34)25-19-26(20-25)40-15-17-42-18-16-40)24-11-12-28-30(21-24)38-29(23-7-3-1-4-8-23)22-31(28)43-27-9-5-2-6-10-27/h1-14,21-22,25-26H,15-20H2,(H2,36,37).
What are the key properties of 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 568.68 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71763839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).