1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C85H69N23O2 — CID 160514820

IUPAC1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESC=C1CCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.C=C1COCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc2c(c1)ccn2-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C23H16N6.C22H17N5O.C20H18N6O.C20H18N6/c1-2-6-20-15(4-1)10-13-29(20)23-18-8-7-17(14-16(18)9-12-25-23)26-22-21-19(27-28-22)5-3-11-24-21;1-14-4-7-17(8-5-14)28-22-18-9-6-16(13-15(18)10-12-24-22)25-21-20-19(26-27-21)3-2-11-23-20;1-13-12-27-10-9-26(13)20-16-5-4-15(11-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18;1-13-4-3-11-26(13)20-16-7-6-15(12-14(16)8-10-22-20)23-19-18-17(24-25-19)5-2-9-21-18/h1-14H,(H2,26,27,28);2-13H,1H3,(H2,25,26,27);2-8,11H,1,9-10,12H2,(H2,23,24,25);2,5-10,12H,1,3-4,11H2,(H2,23,24,25)
InChIKeyQTMZEBYGESTNRO-UHFFFAOYSA-N
MW1444.65 g/mol
LogP18.51
Rot. Bonds13

About 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 160514820) has the molecular formula C85H69N23O2 and a molecular weight of 1444.65 g/mol. Its IUPAC name is 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID160514820
Molecular FormulaC85H69N23O2
Molecular Weight1444.65 g/mol
Exact Mass1443.60
IUPAC Name1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESC=C1CCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.C=C1COCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc2c(c1)ccn2-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C23H16N6.C22H17N5O.C20H18N6O.C20H18N6/c1-2-6-20-15(4-1)10-13-29(20)23-18-8-7-17(14-16(18)9-12-25-23)26-22-21-19(27-28-22)5-3-11-24-21;1-14-4-7-17(8-5-14)28-22-18-9-6-16(13-15(18)10-12-24-22)25-21-20-19(26-27-21)3-2-11-23-20;1-13-12-27-10-9-26(13)20-16-5-4-15(11-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18;1-13-4-3-11-26(13)20-16-7-6-15(12-14(16)8-10-22-20)23-19-18-17(24-25-19)5-2-9-21-18/h1-14H,(H2,26,27,28);2-13H,1H3,(H2,25,26,27);2-8,11H,1,9-10,12H2,(H2,23,24,25);2,5-10,12H,1,3-4,11H2,(H2,23,24,25)
InChIKeyQTMZEBYGESTNRO-UHFFFAOYSA-N
XLogP18.51
TPSA295.83 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001444.65
LogP ≤ 518.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine with MolForge

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Related Compounds

1-(2-morpholin-4-ylethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 156227575
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
N-[3-[2-[1-[[2-[3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-5-pyrazin-2-ylpyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 145034002
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145249347
2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
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
4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
N-[[6-(imidazo[2,1-a]phthalazin-6-yloxymethyl)-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylimidazo[5,1-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[[2-(trifluoromethyl)imidazo[2,1-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157803796
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262
CID 158439161
CID 158439161
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

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 160514820) is 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is C=C1CCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.C=C1COCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc2c(c1)ccn2-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is QTMZEBYGESTNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6.C22H17N5O.C20H18N6O.C20H18N6/c1-2-6-20-15(4-1)10-13-29(20)23-18-8-7-17(14-16(18)9-12-25-23)26-22-21-19(27-28-22)5-3-11-24-21;1-14-4-7-17(8-5-14)28-22-18-9-6-16(13-15(18)10-12-24-22)25-21-20-19(26-27-21)3-2-11-23-20;1-13-12-27-10-9-26(13)20-16-5-4-15(11-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18;1-13-4-3-11-26(13)20-16-7-6-15(12-14(16)8-10-22-20)23-19-18-17(24-25-19)5-2-9-21-18/h1-14H,(H2,26,27,28);2-13H,1H3,(H2,25,26,27);2-8,11H,1,9-10,12H2,(H2,23,24,25);2,5-10,12H,1,3-4,11H2,(H2,23,24,25).
What are the key properties of 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 1444.65 g/mol, XLogP of 18.51, 13 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylidenemorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2-methylidenepyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 160514820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).