2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C86H73ClN16O2 — CID 160915301

IUPAC2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.Nc1nccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12
InChIInChI=1S/C36H30N6O2.C25H20ClN5.C25H23N5/c37-33-32-31(26-15-14-24-16-17-29(39-30(24)20-26)23-6-2-1-3-7-23)40-34(41(32)19-18-38-33)25-12-10-22(11-13-25)21-42-35(43)27-8-4-5-9-28(27)36(42)44;26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16;1-25(2,3)24-29-21(22-23(26)27-13-14-30(22)24)18-10-9-17-11-12-19(28-20(17)15-18)16-7-5-4-6-8-16/h1-9,14-20,22,25H,10-13,21H2,(H2,37,38);1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28);4-15H,1-3H3,(H2,26,27)
InChIKeySRIABKWPMWPDCB-UHFFFAOYSA-N
MW1398.09 g/mol
LogP18.37
Rot. Bonds10

About 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 160915301) has the molecular formula C86H73ClN16O2 and a molecular weight of 1398.09 g/mol. Its IUPAC name is 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID160915301
Molecular FormulaC86H73ClN16O2
Molecular Weight1398.09 g/mol
Exact Mass1396.58
IUPAC Name2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.Nc1nccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12
InChIInChI=1S/C36H30N6O2.C25H20ClN5.C25H23N5/c37-33-32-31(26-15-14-24-16-17-29(39-30(24)20-26)23-6-2-1-3-7-23)40-34(41(32)19-18-38-33)25-12-10-22(11-13-25)21-42-35(43)27-8-4-5-9-28(27)36(42)44;26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16;1-25(2,3)24-29-21(22-23(26)27-13-14-30(22)24)18-10-9-17-11-12-19(28-20(17)15-18)16-7-5-4-6-8-16/h1-9,14-20,22,25H,10-13,21H2,(H2,37,38);1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28);4-15H,1-3H3,(H2,26,27)
InChIKeySRIABKWPMWPDCB-UHFFFAOYSA-N
XLogP18.37
TPSA244.68 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001398.09
LogP ≤ 518.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

5-[[6-[1'-acetyl-1-[3-[3-[2-[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-4-[4-chloro-2-fluoro-5-(propan-2-ylcarbamoyl)anilino]imidazo[4,5-c]pyridin-3-yl]propyl]piperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N-[1-(methoxymethyl)cyclopropyl]-2-methylbenzamide
CID 148364756
2-[3-Chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-(1,6-naphthyridin-8-yl)ethynyl]phenyl]ethanone;2-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-pyrimidin-5-ylethynyl)phenyl]ethanone;6-[2-[2-methyl-5-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3-trimethylsilylphenyl]acetyl]phenyl]ethynyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;1-[4-methyl-3-(2-pyrimidin-5-ylethynyl)phenyl]-2-[3-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]ethanone
CID 159744165
8-chloro-2-[3-(1,1-difluoroethyl)phenyl]-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)-3-methylbutyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)-2-methylpropyl]-2-phenylisoquinolin-1-one;8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one;8-chloro-2-phenyl-3-[(1S)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one
CID 160304952
5-[4-[3-Chloro-4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163696539
5-[[6-[1'-[2-chloro-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]benzoyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide
CID 164135770
N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
CID 167206743
1-[3-[3-(8-Aminoimidazo[1,2-a]pyridin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[3-(7-chloroimidazo[1,2-c]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]ethanone;1-[3-[3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(3-imidazo[1,2-c]pyrimidin-3-yl-1-bicyclo[1.1.1]pentanyl)-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[4-methyl-3-[3-(8-methylimidazo[1,2-a]pyrazin-3-yl)-1-bicyclo[1.1.1]pentanyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 167613238
2-chloro-N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[1-[3-[3-[2-[4-[5-[[1-(difluoromethyl)cyclopropyl]carbamoyl]-2-fluoro-4-methylanilino]-6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]imidazo[4,5-c]pyridin-3-yl]propyl]piperidin-1-yl]-3-methylcyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluorobenzamide
CID 147321466
trans-2-{4-[8-Amino-1-(2-phenylquinolin-7-yl)-imidazo[1,5-a]pyrazin-3-yl]-cyclohexylmethyl}-isoindole-1,3-dione
CID 11599533
2-[[4-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 59827900
3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide
CID 89120690
2-chloro-N-(2-pyrrolidin-1-ylethyl)-4-[3-(quinolin-7-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide;N-[3-(methylamino)-3-oxopropyl]-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 118420596

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 160915301) is 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is CC(C)(C)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.Nc1nccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12.
What is the InChIKey of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is SRIABKWPMWPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N6O2.C25H20ClN5.C25H23N5/c37-33-32-31(26-15-14-24-16-17-29(39-30(24)20-26)23-6-2-1-3-7-23)40-34(41(32)19-18-38-33)25-12-10-22(11-13-25)21-42-35(43)27-8-4-5-9-28(27)36(42)44;26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16;1-25(2,3)24-29-21(22-23(26)27-13-14-30(22)24)18-10-9-17-11-12-19(28-20(17)15-18)16-7-5-4-6-8-16/h1-9,14-20,22,25H,10-13,21H2,(H2,37,38);1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28);4-15H,1-3H3,(H2,26,27).
What are the key properties of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1398.09 g/mol, XLogP of 18.37, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 160915301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).