1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine

C72H68N24O2 — CID 157285312

IUPAC1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCCNc1cccc2cc(Nc3n[nH]c4cccnc34)cnc12.CCNc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCOCC5)nccc4c3)n[nH]c2c1.c1cnc2n[nH]c(Nc3ccc4c(N5CCOCC5)nccc4c3)c2c1
InChIInChI=1S/2C19H18N6O.2C17H16N6/c1-2-16-17(20-6-1)18(24-23-16)22-14-3-4-15-13(12-14)5-7-21-19(15)25-8-10-26-11-9-25;1-2-16-17(20-6-1)23-24-18(16)22-14-3-4-15-13(12-14)5-7-21-19(15)25-8-10-26-11-9-25;1-2-18-13-6-3-5-11-9-12(10-20-15(11)13)21-17-16-14(22-23-17)7-4-8-19-16;1-2-18-15-13-6-5-12(10-11(13)7-9-20-15)21-17-14-4-3-8-19-16(14)22-23-17/h1-7,12H,8-11H2,(H2,22,23,24);1-7,12H,8-11H2,(H2,20,22,23,24);3-10,18H,2H2,1H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,19,21,22,23)
InChIKeyBADVRCOOIDTSQK-UHFFFAOYSA-N
MW1301.50 g/mol
LogP13.54
Rot. Bonds14

About 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine

1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 157285312) has the molecular formula C72H68N24O2 and a molecular weight of 1301.50 g/mol. Its IUPAC name is 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID157285312
Molecular FormulaC72H68N24O2
Molecular Weight1301.50 g/mol
Exact Mass1300.60
IUPAC Name1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCCNc1cccc2cc(Nc3n[nH]c4cccnc34)cnc12.CCNc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCOCC5)nccc4c3)n[nH]c2c1.c1cnc2n[nH]c(Nc3ccc4c(N5CCOCC5)nccc4c3)c2c1
InChIInChI=1S/2C19H18N6O.2C17H16N6/c1-2-16-17(20-6-1)18(24-23-16)22-14-3-4-15-13(12-14)5-7-21-19(15)25-8-10-26-11-9-25;1-2-16-17(20-6-1)23-24-18(16)22-14-3-4-15-13(12-14)5-7-21-19(15)25-8-10-26-11-9-25;1-2-18-13-6-3-5-11-9-12(10-20-15(11)13)21-17-16-14(22-23-17)7-4-8-19-16;1-2-18-15-13-6-5-12(10-11(13)7-9-20-15)21-17-14-4-3-8-19-16(14)22-23-17/h1-7,12H,8-11H2,(H2,22,23,24);1-7,12H,8-11H2,(H2,20,22,23,24);3-10,18H,2H2,1H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,19,21,22,23)
InChIKeyBADVRCOOIDTSQK-UHFFFAOYSA-N
XLogP13.54
TPSA314.96 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001301.50
LogP ≤ 513.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine with MolForge

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Related Compounds

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
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
3-[2-(2-methyl-benzyl)-1H-benzoimidazol-5-yl]-1-(4-morpholin-4-yl-cyclhexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
CID 44441700
2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 49836646
3-(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 52949635
N-(6-(3H-imidazo[4,5-b]pyridin-6-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321410
4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728539
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728565
4-(3-(5-morpholino-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497787
1-[5-[3-[7-(3-fluoro-5-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136213667
4-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]morpholine
CID 136273082
4-[2-(1H-indazol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 76328376

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (CID 157285312) is 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is CCNc1cccc2cc(Nc3n[nH]c4cccnc34)cnc12.CCNc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCOCC5)nccc4c3)n[nH]c2c1.c1cnc2n[nH]c(Nc3ccc4c(N5CCOCC5)nccc4c3)c2c1.
What is the InChIKey of 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is BADVRCOOIDTSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18N6O.2C17H16N6/c1-2-16-17(20-6-1)18(24-23-16)22-14-3-4-15-13(12-14)5-7-21-19(15)25-8-10-26-11-9-25;1-2-16-17(20-6-1)23-24-18(16)22-14-3-4-15-13(12-14)5-7-21-19(15)25-8-10-26-11-9-25;1-2-18-13-6-3-5-11-9-12(10-20-15(11)13)21-17-16-14(22-23-17)7-4-8-19-16;1-2-18-15-13-6-5-12(10-11(13)7-9-20-15)21-17-14-4-3-8-19-16(14)22-23-17/h1-7,12H,8-11H2,(H2,22,23,24);1-7,12H,8-11H2,(H2,20,22,23,24);3-10,18H,2H2,1H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,19,21,22,23).
What are the key properties of 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 1301.50 g/mol, XLogP of 13.54, 14 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 157285312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).