4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine

C93H84N28 — CID 157270161

IUPAC4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
SMILESCN1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(C)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2cn1.Cc1ncc(C2=CCC=C2)c2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C21H17N5.C20H21N7.C19H18N6.C17H15N5.C16H13N5/c1-13-16-9-8-15(24-21-20-19(25-26-21)7-4-10-22-20)11-17(16)18(12-23-13)14-5-2-3-6-14;1-26-9-11-27(12-10-26)20-16-5-4-15(13-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18;1-2-11-25(10-1)19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17;1-10-8-12-9-13(5-6-14(12)11(2)19-10)20-17-16-15(21-22-17)4-3-7-18-16;1-10-7-12-8-13(5-4-11(12)9-18-10)19-16-15-14(20-21-16)3-2-6-17-15/h2,4-12H,3H2,1H3,(H2,24,25,26);2-8,13H,9-12H2,1H3,(H2,23,24,25);3-9,12H,1-2,10-11H2,(H2,22,23,24);3-9H,1-2H3,(H2,20,21,22);2-9H,1H3,(H2,19,20,21)
InChIKeyAYLCORZUMSIYAK-UHFFFAOYSA-N
MW1593.89 g/mol
LogP19.18
Rot. Bonds13

About 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine

4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine (PubChem CID 157270161) has the molecular formula C93H84N28 and a molecular weight of 1593.89 g/mol. Its IUPAC name is 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine.

Molecular Properties

Compound Name4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
PubChem CID157270161
Molecular FormulaC93H84N28
Molecular Weight1593.89 g/mol
Exact Mass1592.74
IUPAC Name4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
SMILESCN1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(C)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2cn1.Cc1ncc(C2=CCC=C2)c2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C21H17N5.C20H21N7.C19H18N6.C17H15N5.C16H13N5/c1-13-16-9-8-15(24-21-20-19(25-26-21)7-4-10-22-20)11-17(16)18(12-23-13)14-5-2-3-6-14;1-26-9-11-27(12-10-26)20-16-5-4-15(13-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18;1-2-11-25(10-1)19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17;1-10-8-12-9-13(5-6-14(12)11(2)19-10)20-17-16-15(21-22-17)4-3-7-18-16;1-10-7-12-8-13(5-4-11(12)9-18-10)19-16-15-14(20-21-16)3-2-6-17-15/h2,4-12H,3H2,1H3,(H2,24,25,26);2-8,13H,9-12H2,1H3,(H2,23,24,25);3-9,12H,1-2,10-11H2,(H2,22,23,24);3-9H,1-2H3,(H2,20,21,22);2-9H,1H3,(H2,19,20,21)
InChIKeyAYLCORZUMSIYAK-UHFFFAOYSA-N
XLogP19.18
TPSA342.17 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001593.89
LogP ≤ 519.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
The IUPAC name of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine (CID 157270161) is 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine.
What is the SMILES notation for 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
The canonical SMILES for 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine is CN1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(C)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2cn1.Cc1ncc(C2=CCC=C2)c2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCCC5)nccc4c3)n[nH]c2c1.
What is the InChIKey of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
The InChIKey is AYLCORZUMSIYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5.C20H21N7.C19H18N6.C17H15N5.C16H13N5/c1-13-16-9-8-15(24-21-20-19(25-26-21)7-4-10-22-20)11-17(16)18(12-23-13)14-5-2-3-6-14;1-26-9-11-27(12-10-26)20-16-5-4-15(13-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18;1-2-11-25(10-1)19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17;1-10-8-12-9-13(5-6-14(12)11(2)19-10)20-17-16-15(21-22-17)4-3-7-18-16;1-10-7-12-8-13(5-4-11(12)9-18-10)19-16-15-14(20-21-16)3-2-6-17-15/h2,4-12H,3H2,1H3,(H2,24,25,26);2-8,13H,9-12H2,1H3,(H2,23,24,25);3-9,12H,1-2,10-11H2,(H2,22,23,24);3-9H,1-2H3,(H2,20,21,22);2-9H,1H3,(H2,19,20,21).
What are the key properties of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine has a molecular weight of 1593.89 g/mol, XLogP of 19.18, 13 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1,3-dimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine is sourced from PubChem (CID 157270161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).