3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine

C128H108FN29O2 — CID 158764505

IUPAC3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine
SMILESC=C1CCC(C)N1c1nccc2cc(NC3=NCc4cccnc43)ccc12.C=C1CCCN1c1nccc2cc(NC3=NCc4cccnc43)ccc12.CC1=NOCC1(C)c1nccc2cc(Cc3[nH]nc4cccnc34)ccc12.CCc1ccc(F)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(NC4=NCc5cccnc54)ccc23)cc1.c1cnc2c(c1)CN=C2Nc1ccc2c(-n3ccc4ccncc43)nccc2c1
InChIInChI=1S/C23H16N6.C23H18N4O.C22H21N5.C21H19N5O.C21H19N5.C18H15FN4/c1-2-17-13-27-22(21(17)25-8-1)28-18-3-4-19-16(12-18)6-10-26-23(19)29-11-7-15-5-9-24-14-20(15)29;1-15-4-7-19(8-5-15)28-23-20-9-6-18(13-16(20)10-12-25-23)27-22-21-17(14-26-22)3-2-11-24-21;1-14-5-6-15(2)27(14)22-19-8-7-18(12-16(19)9-11-24-22)26-21-20-17(13-25-21)4-3-10-23-20;1-13-21(2,12-27-26-13)20-16-6-5-14(10-15(16)7-9-23-20)11-18-19-17(24-25-18)4-3-8-22-19;1-14-4-3-11-26(14)21-18-7-6-17(12-15(18)8-10-23-21)25-20-19-16(13-24-20)5-2-9-22-19;1-2-11-5-8-15(19)14-10-12(6-7-13(11)14)21-18-17-16(22-23-18)4-3-9-20-17/h1-12,14H,13H2,(H,27,28);2-13H,14H2,1H3,(H,26,27);3-4,7-12,15H,1,5-6,13H2,2H3,(H,25,26);3-10H,11-12H2,1-2H3,(H,24,25);2,5-10,12H,1,3-4,11,13H2,(H,24,25);3-10H,2H2,1H3,(H2,21,22,23)
InChIKeyIPBXDKUODWIXIP-UHFFFAOYSA-N
MW2103.47 g/mol
LogP26.38
Rot. Bonds15

About 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine

3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine (PubChem CID 158764505) has the molecular formula C128H108FN29O2 and a molecular weight of 2103.47 g/mol. Its IUPAC name is 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine.

Molecular Properties

Compound Name3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine
PubChem CID158764505
Molecular FormulaC128H108FN29O2
Molecular Weight2103.47 g/mol
Exact Mass2101.92
IUPAC Name3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine
SMILESC=C1CCC(C)N1c1nccc2cc(NC3=NCc4cccnc43)ccc12.C=C1CCCN1c1nccc2cc(NC3=NCc4cccnc43)ccc12.CC1=NOCC1(C)c1nccc2cc(Cc3[nH]nc4cccnc34)ccc12.CCc1ccc(F)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(NC4=NCc5cccnc54)ccc23)cc1.c1cnc2c(c1)CN=C2Nc1ccc2c(-n3ccc4ccncc43)nccc2c1
InChIInChI=1S/C23H16N6.C23H18N4O.C22H21N5.C21H19N5O.C21H19N5.C18H15FN4/c1-2-17-13-27-22(21(17)25-8-1)28-18-3-4-19-16(12-18)6-10-26-23(19)29-11-7-15-5-9-24-14-20(15)29;1-15-4-7-19(8-5-15)28-23-20-9-6-18(13-16(20)10-12-25-23)27-22-21-17(14-26-22)3-2-11-24-21;1-14-5-6-15(2)27(14)22-19-8-7-18(12-16(19)9-11-24-22)26-21-20-17(13-25-21)4-3-10-23-20;1-13-21(2,12-27-26-13)20-16-6-5-14(10-15(16)7-9-23-20)11-18-19-17(24-25-18)4-3-8-22-19;1-14-4-3-11-26(14)21-18-7-6-17(12-15(18)8-10-23-21)25-20-19-16(13-24-20)5-2-9-22-19;1-2-11-5-8-15(19)14-10-12(6-7-13(11)14)21-18-17-16(22-23-18)4-3-9-20-17/h1-12,14H,13H2,(H,27,28);2-13H,14H2,1H3,(H,26,27);3-4,7-12,15H,1,5-6,13H2,2H3,(H,25,26);3-10H,11-12H2,1-2H3,(H,24,25);2,5-10,12H,1,3-4,11,13H2,(H,24,25);3-10H,2H2,1H3,(H2,21,22,23)
InChIKeyIPBXDKUODWIXIP-UHFFFAOYSA-N
XLogP26.38
TPSA363.86 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.47
LogP ≤ 526.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine with MolForge

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Related Compounds

1-(1,1-difluoroethyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)isoquinolin-4-ol;1-ethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;4-fluoro-1-(2-methyl-3-pyridinyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methylpyrazol-3-yl)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)isoquinolin-6-amine
CID 157099502
N-(5-chloro-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;1-(2,5-dimethylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;4-fluoro-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-ol;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-indazol-3-amine
CID 158853161
5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine
CID 159027420
5-[4-[(3R)-1-[[2-(1,1-difluoroethoxy)phenyl]methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole;5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methoxypyrimidin-5-yl)-1H-indazole;5-[4-[(3R)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole;5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methoxypyrimidin-5-yl)-1H-indazole
CID 161925920
N-[(2-ethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[2-(2-methoxyphenyl)ethyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(3-methylbutyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(3-propan-2-yloxyphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(3-pyrazol-1-ylpropyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 162121521
7-[4-fluoro-2-[[7-[[(3R)-1-methylpiperidin-3-yl]amino]-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-d]pyridazin-2-yl]oxy]phenyl]-N-[(3R)-1-methylpiperidin-3-yl]-2-[2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-d]pyridazin-7-yl]phenoxy]-1H-pyrrolo[2,3-d]pyridazin-4-amine
CID 174265748
1-methyl-2-[2-[4-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-d]pyridazin-7-yl]phenoxy]-N-[(3R)-1-methylpiperidin-3-yl]-7-[2-[[4-[[(3R)-1-methylpiperidin-3-yl]amino]-7-[3-methyl-4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-d]pyridazin-2-yl]oxy]phenyl]pyrrolo[2,3-d]pyridazin-4-amine
CID 174266360
N-[2-[2-[3-[4-[2-methoxy-4-[3-[4-(2-methoxy-5-pyrazin-2-ylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-5-yl]-5-phenylanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-4-yl]ethoxy]-5-pyrimidin-2-ylphenyl]-3-(1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049223
1-[6-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-8-(3H-indol-2-yl)-1-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-1-(1,8-naphthyridin-2-yl)-5-(7H-purin-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-4a-pyridin-2-yl-3-pyrimidin-2-yl-7-(1H-pyrrol-2-yl)-8-(2H-pyrrol-2-yl)-3-quinolin-2-yl-8a-(9H-xanthen-9-yl)naphthalen-2-yl]phthalazine
CID 153529136
4-[[4-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[[4-[2,6-dimethyl-4-(2-methylpyrimidin-5-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[2,6-dimethyl-4-(1H-pyrazol-4-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[[4-[4-(3-fluoro-5-methylphenyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile
CID 157053194
4-(2,6-Dimethyl-4-phenylphenyl)-12-oxa-2,23-diaza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,6-dimethyl-4-phenylphenyl)-12-oxa-2,3,5,23-tetraza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,6-dimethyl-4-phenylphenyl)-12-oxa-2,3,23-triaza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,6-dimethyl-4-phenylphenyl)-12-oxa-2,5,23-triaza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157074850
3-[1-(4-fluorophenyl)pyrazol-4-yl]-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-(5-methyl-1H-pyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-c]pyrimidin-3-yl]quinoline;7-(4-propan-2-yloxyphenyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 157115670

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine?
The IUPAC name of 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine (CID 158764505) is 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine.
What is the SMILES notation for 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine?
The canonical SMILES for 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine is C=C1CCC(C)N1c1nccc2cc(NC3=NCc4cccnc43)ccc12.C=C1CCCN1c1nccc2cc(NC3=NCc4cccnc43)ccc12.CC1=NOCC1(C)c1nccc2cc(Cc3[nH]nc4cccnc34)ccc12.CCc1ccc(F)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(NC4=NCc5cccnc54)ccc23)cc1.c1cnc2c(c1)CN=C2Nc1ccc2c(-n3ccc4ccncc43)nccc2c1.
What is the InChIKey of 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine?
The InChIKey is IPBXDKUODWIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6.C23H18N4O.C22H21N5.C21H19N5O.C21H19N5.C18H15FN4/c1-2-17-13-27-22(21(17)25-8-1)28-18-3-4-19-16(12-18)6-10-26-23(19)29-11-7-15-5-9-24-14-20(15)29;1-15-4-7-19(8-5-15)28-23-20-9-6-18(13-16(20)10-12-25-23)27-22-21-17(14-26-22)3-2-11-24-21;1-14-5-6-15(2)27(14)22-19-8-7-18(12-16(19)9-11-24-22)26-21-20-17(13-25-21)4-3-10-23-20;1-13-21(2,12-27-26-13)20-16-6-5-14(10-15(16)7-9-23-20)11-18-19-17(24-25-18)4-3-8-22-19;1-14-4-3-11-26(14)21-18-7-6-17(12-15(18)8-10-23-21)25-20-19-16(13-24-20)5-2-9-22-19;1-2-11-5-8-15(19)14-10-12(6-7-13(11)14)21-18-17-16(22-23-18)4-3-9-20-17/h1-12,14H,13H2,(H,27,28);2-13H,14H2,1H3,(H,26,27);3-4,7-12,15H,1,5-6,13H2,2H3,(H,25,26);3-10H,11-12H2,1-2H3,(H,24,25);2,5-10,12H,1,3-4,11,13H2,(H,24,25);3-10H,2H2,1H3,(H2,21,22,23).
What are the key properties of 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine?
3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine has a molecular weight of 2103.47 g/mol, XLogP of 26.38, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4-[6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-yl]-5H-1,2-oxazole;N-(5-ethyl-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine is sourced from PubChem (CID 158764505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).