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

C32H36FN7 — CID 143120632

IUPACethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC.CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C30H30FN7.C2H6/c1-36-13-15-37(16-14-36)22-17-21(18-22)30-35-27(28-29(32)33-11-12-38(28)30)23-9-7-20-8-10-24(34-26(20)25(23)31)19-5-3-2-4-6-19;1-2/h2-12,21-22H,13-18H2,1H3,(H2,32,33);1-2H3
InChIKeyBUQCICFGROMNQK-UHFFFAOYSA-N
MW537.69 g/mol
LogP5.85
Rot. Bonds4

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

ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143120632) has the molecular formula C32H36FN7 and a molecular weight of 537.69 g/mol. Its IUPAC name is ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Nameethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID143120632
Molecular FormulaC32H36FN7
Molecular Weight537.69 g/mol
Exact Mass537.30
IUPAC Nameethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC.CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C30H30FN7.C2H6/c1-36-13-15-37(16-14-36)22-17-21(18-22)30-35-27(28-29(32)33-11-12-38(28)30)23-9-7-20-8-10-24(34-26(20)25(23)31)19-5-3-2-4-6-19;1-2/h2-12,21-22H,13-18H2,1H3,(H2,32,33);1-2H3
InChIKeyBUQCICFGROMNQK-UHFFFAOYSA-N
XLogP5.85
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.69
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-(8-fluoro-4-methyl-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11699297
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine
CID 16753772
1-(4-methoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763143
3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 59133032
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-(4-bromophenyl)sulfanyl-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16753679
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
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 ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 143120632) is ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CC.CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)nccn34)C2)CC1.
What is the InChIKey of ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is BUQCICFGROMNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN7.C2H6/c1-36-13-15-37(16-14-36)22-17-21(18-22)30-35-27(28-29(32)33-11-12-38(28)30)23-9-7-20-8-10-24(34-26(20)25(23)31)19-5-3-2-4-6-19;1-2/h2-12,21-22H,13-18H2,1H3,(H2,32,33);1-2H3.
What are the key properties of ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 537.69 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143120632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).