4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline

C86H78Cl3N15O2 — CID 159762422

IUPAC4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
SMILESCOCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(Cl)nccn23)C1.Clc1nccn2c(C3CC(N4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Clc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C29H26ClN5O.C29H26ClN5.C28H26ClN5O/c30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34;30-28-27-26(21-9-8-20-10-11-24(32-25(20)18-21)19-6-2-1-3-7-19)33-29(35(27)15-12-31-28)22-16-23(17-22)34-13-4-5-14-34;1-35-14-12-30-22-15-21(16-22)28-33-25(26-27(29)31-11-13-34(26)28)20-8-7-19-9-10-23(32-24(19)17-20)18-5-3-2-4-6-18/h1-11,18,22-23H,12-17H2;1-3,6-12,15,18,22-23H,4-5,13-14,16-17H2;2-11,13,17,21-22,30H,12,14-16H2,1H3
InChIKeyNFBHKCTVDVYVFM-UHFFFAOYSA-N
MW1460.03 g/mol
LogP18.20
Rot. Bonds15

About 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline

4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline (PubChem CID 159762422) has the molecular formula C86H78Cl3N15O2 and a molecular weight of 1460.03 g/mol. Its IUPAC name is 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline.

Molecular Properties

Compound Name4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
PubChem CID159762422
Molecular FormulaC86H78Cl3N15O2
Molecular Weight1460.03 g/mol
Exact Mass1457.55
IUPAC Name4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
SMILESCOCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(Cl)nccn23)C1.Clc1nccn2c(C3CC(N4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Clc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C29H26ClN5O.C29H26ClN5.C28H26ClN5O/c30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34;30-28-27-26(21-9-8-20-10-11-24(32-25(20)18-21)19-6-2-1-3-7-19)33-29(35(27)15-12-31-28)22-16-23(17-22)34-13-4-5-14-34;1-35-14-12-30-22-15-21(16-22)28-33-25(26-27(29)31-11-13-34(26)28)20-8-7-19-9-10-23(32-24(19)17-20)18-5-3-2-4-6-18/h1-11,18,22-23H,12-17H2;1-3,6-12,15,18,22-23H,4-5,13-14,16-17H2;2-11,13,17,21-22,30H,12,14-16H2,1H3
InChIKeyNFBHKCTVDVYVFM-UHFFFAOYSA-N
XLogP18.20
TPSA166.21 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.03
LogP ≤ 518.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline with MolForge

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Related Compounds

N-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylazetidin-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157498070
3-Cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-4-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 158861191
3-Cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-3-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 159610356
Bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 159760696
5-Chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine;5-chloro-3-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-amine;3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-amine;3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-amine;3-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine
CID 160667879
3-Cyclobutyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-3-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-4-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160704456
4-[3-[8-Chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine
CID 53629070
3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine
CID 57680838
3-[3-(3-Morpholin-4-ylpropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 57681069
3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(ethoxymethyl)cyclobutan-1-amine
CID 58023051
1-(2-Cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(3-morpholin-4-ylpropylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 70905180
7-[8-Chloro-3-[2-(2-ethylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 87101558

Frequently Asked Questions

What is the IUPAC name of 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The IUPAC name of 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline (CID 159762422) is 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline.
What is the SMILES notation for 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The canonical SMILES for 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline is COCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(Cl)nccn23)C1.Clc1nccn2c(C3CC(N4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Clc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The InChIKey is NFBHKCTVDVYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN5O.C29H26ClN5.C28H26ClN5O/c30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34;30-28-27-26(21-9-8-20-10-11-24(32-25(20)18-21)19-6-2-1-3-7-19)33-29(35(27)15-12-31-28)22-16-23(17-22)34-13-4-5-14-34;1-35-14-12-30-22-15-21(16-22)28-33-25(26-27(29)31-11-13-34(26)28)20-8-7-19-9-10-23(32-24(19)17-20)18-5-3-2-4-6-18/h1-11,18,22-23H,12-17H2;1-3,6-12,15,18,22-23H,4-5,13-14,16-17H2;2-11,13,17,21-22,30H,12,14-16H2,1H3.
What are the key properties of 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline has a molecular weight of 1460.03 g/mol, XLogP of 18.20, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline is sourced from PubChem (CID 159762422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).