1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

C183H137N27O11S3 — CID 158415527

IUPAC1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)c4cc5c(cn4)CC=C5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ccoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ccsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cccc5ccoc45)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cccc5ccsc45)cc3c2)cn1
InChIInChI=1S/C24H19N3O.C23H18N4O.2C23H17N3O2.2C23H17N3OS.C22H16N4O2.C22H16N4OS/c1-27-15-22(14-26-27)18-6-8-20-13-25-23(11-21(20)10-18)12-24(28)19-7-5-16-3-2-4-17(16)9-19;1-27-14-20(13-26-27)16-5-6-18-11-24-21(8-19(18)7-16)10-23(28)22-9-15-3-2-4-17(15)12-25-22;1-26-14-20(13-25-26)16-3-5-18-12-24-21(9-19(18)8-16)11-22(27)17-4-2-15-6-7-28-23(15)10-17;1-26-14-19(13-25-26)16-5-6-17-12-24-20(10-18(17)9-16)11-22(27)21-4-2-3-15-7-8-28-23(15)21;1-26-14-20(13-25-26)16-3-5-18-12-24-21(9-19(18)8-16)11-22(27)17-4-2-15-6-7-28-23(15)10-17;1-26-14-19(13-25-26)16-5-6-17-12-24-20(10-18(17)9-16)11-22(27)21-4-2-3-15-7-8-28-23(15)21;2*1-26-12-18(11-25-26)14-2-3-16-10-23-19(7-17(16)6-14)9-21(27)15-4-5-20-22(8-15)28-13-24-20/h2,4-11,13-15H,3,12H2,1H3;2-3,5-9,11-14H,4,10H2,1H3;4*2-10,12-14H,11H2,1H3;2*2-8,10-13H,9H2,1H3
InChIKeyGZVPXYZAMLZWEX-UHFFFAOYSA-N
MW2986.49 g/mol
LogP37.69
Rot. Bonds32

About 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (PubChem CID 158415527) has the molecular formula C183H137N27O11S3 and a molecular weight of 2986.49 g/mol. Its IUPAC name is 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
PubChem CID158415527
Molecular FormulaC183H137N27O11S3
Molecular Weight2986.49 g/mol
Exact Mass2984.02
IUPAC Name1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)c4cc5c(cn4)CC=C5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ccoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ccsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cccc5ccoc45)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cccc5ccsc45)cc3c2)cn1
InChIInChI=1S/C24H19N3O.C23H18N4O.2C23H17N3O2.2C23H17N3OS.C22H16N4O2.C22H16N4OS/c1-27-15-22(14-26-27)18-6-8-20-13-25-23(11-21(20)10-18)12-24(28)19-7-5-16-3-2-4-17(16)9-19;1-27-14-20(13-26-27)16-5-6-18-11-24-21(8-19(18)7-16)10-23(28)22-9-15-3-2-4-17(15)12-25-22;1-26-14-20(13-25-26)16-3-5-18-12-24-21(9-19(18)8-16)11-22(27)17-4-2-15-6-7-28-23(15)10-17;1-26-14-19(13-25-26)16-5-6-17-12-24-20(10-18(17)9-16)11-22(27)21-4-2-3-15-7-8-28-23(15)21;1-26-14-20(13-25-26)16-3-5-18-12-24-21(9-19(18)8-16)11-22(27)17-4-2-15-6-7-28-23(15)10-17;1-26-14-19(13-25-26)16-5-6-17-12-24-20(10-18(17)9-16)11-22(27)21-4-2-3-15-7-8-28-23(15)21;2*1-26-12-18(11-25-26)14-2-3-16-10-23-19(7-17(16)6-14)9-21(27)15-4-5-20-22(8-15)28-13-24-20/h2,4-11,13-15H,3,12H2,1H3;2-3,5-9,11-14H,4,10H2,1H3;4*2-10,12-14H,11H2,1H3;2*2-8,10-13H,9H2,1H3
InChIKeyGZVPXYZAMLZWEX-UHFFFAOYSA-N
XLogP37.69
TPSA460.33 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002986.49
LogP ≤ 537.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2,3-Ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine
CID 157057682
2,5-Dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)
CID 157112068
2-[[2-[4-(1,3-benzothiazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(1,3-benzoxazol-2-yl)-6-tert-butyl-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;platinum
CID 157117746
CID 157135005
CID 157135005
11-(4-Dibenzofuran-4-ylphenyl)-12-phenylindolo[2,3-i]phenanthridine;11-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[2,3-i]phenanthridine;11-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12-phenylindolo[2,3-i]phenanthridine;11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-phenylindolo[2,3-i]phenanthridine;11-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-12-phenylindolo[2,3-i]phenanthridine;11-[4-(1,5-naphthyridin-2-yl)phenyl]-12-phenylindolo[2,3-i]phenanthridine;2-[4-[4-(12-phenylindolo[2,3-i]phenanthridin-11-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(12-phenylindolo[2,3-i]phenanthridin-11-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(12-phenylindolo[2,3-i]phenanthridin-11-yl)phenyl]phenyl]-1,3,4-oxadiazole;12-phenyl-11-(4-quinolin-6-ylphenyl)indolo[2,3-i]phenanthridine
CID 157223293
5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157276337
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione
CID 157299953
2-[4-(3-Tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 157371095
5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(1,3-benzoxazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157563819
2-(1-benzofuran-3-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;2-(1,3-benzothiazole-6-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione;2-(1,3-benzoxazole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;2-(2,3-dihydro-1H-indene-5-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-[2-(2-oxopropyl)-1,3-benzothiazole-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 157643879
5-chloro-6-propan-2-yl-2H-benzimidazole;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;tris(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole
CID 157676830
5-(3-aminopropyl)-3-methyl-8-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157754421

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (CID 158415527) is 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is Cn1cc(-c2ccc3cnc(CC(=O)c4cc5c(cn4)CC=C5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ccoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ccsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cccc5ccoc45)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cccc5ccsc45)cc3c2)cn1.
What is the InChIKey of 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The InChIKey is GZVPXYZAMLZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O.C23H18N4O.2C23H17N3O2.2C23H17N3OS.C22H16N4O2.C22H16N4OS/c1-27-15-22(14-26-27)18-6-8-20-13-25-23(11-21(20)10-18)12-24(28)19-7-5-16-3-2-4-17(16)9-19;1-27-14-20(13-26-27)16-5-6-18-11-24-21(8-19(18)7-16)10-23(28)22-9-15-3-2-4-17(15)12-25-22;1-26-14-20(13-25-26)16-3-5-18-12-24-21(9-19(18)8-16)11-22(27)17-4-2-15-6-7-28-23(15)10-17;1-26-14-19(13-25-26)16-5-6-17-12-24-20(10-18(17)9-16)11-22(27)21-4-2-3-15-7-8-28-23(15)21;1-26-14-20(13-25-26)16-3-5-18-12-24-21(9-19(18)8-16)11-22(27)17-4-2-15-6-7-28-23(15)10-17;1-26-14-19(13-25-26)16-5-6-17-12-24-20(10-18(17)9-16)11-22(27)21-4-2-3-15-7-8-28-23(15)21;2*1-26-12-18(11-25-26)14-2-3-16-10-23-19(7-17(16)6-14)9-21(27)15-4-5-20-22(8-15)28-13-24-20/h2,4-11,13-15H,3,12H2,1H3;2-3,5-9,11-14H,4,10H2,1H3;4*2-10,12-14H,11H2,1H3;2*2-8,10-13H,9H2,1H3.
What are the key properties of 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone has a molecular weight of 2986.49 g/mol, XLogP of 37.69, 32 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158415527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).