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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Related Compounds

5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
CID 46900457
3-[8-Amino-1-(4-ethoxy-8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71763140
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
3-[8-Amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71762923
3-[8-Amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71762924
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
N-(2,6-dimethylphenyl)-5-[3-(1-methylpiperidin-3-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 11178204
trans-3-(-4-(Azetidin-1-ylmethyl)cyclohexyl)-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-8-amine
CID 11225122
N-(2,6-dimethylphenyl)-5-[4-(1-methylpiperidin-3-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine hydrochloride
CID 11270660

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).