1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine

C75H64N24O — CID 159121209

IUPAC1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine
SMILESCCN(C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CCNc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C22H17N5O.C18H13N7.C18H18N6.C17H16N6/c1-14-4-7-17(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;1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25;1-3-24(2)18-14-7-6-13(11-12(14)8-10-20-18)21-17-16-15(22-23-17)5-4-9-19-16;1-2-18-16-13-6-5-12(10-11(13)7-9-20-16)21-17-15-14(22-23-17)4-3-8-19-15/h2-13H,1H3,(H2,25,26,27);1-11H,(H2,22,23,24);4-11H,3H2,1-2H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,21,22,23)
InChIKeyKFSHAHFHUZHXDS-UHFFFAOYSA-N
MW1317.50 g/mol
LogP16.17
Rot. Bonds15

About 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine

1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine (PubChem CID 159121209) has the molecular formula C75H64N24O and a molecular weight of 1317.50 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine
PubChem CID159121209
Molecular FormulaC75H64N24O
Molecular Weight1317.50 g/mol
Exact Mass1316.57
IUPAC Name1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine
SMILESCCN(C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CCNc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C22H17N5O.C18H13N7.C18H18N6.C17H16N6/c1-14-4-7-17(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;1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25;1-3-24(2)18-14-7-6-13(11-12(14)8-10-20-18)21-17-16-15(22-23-17)5-4-9-19-16;1-2-18-16-13-6-5-12(10-11(13)7-9-20-16)21-17-15-14(22-23-17)4-3-8-19-15/h2-13H,1H3,(H2,25,26,27);1-11H,(H2,22,23,24);4-11H,3H2,1-2H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,21,22,23)
InChIKeyKFSHAHFHUZHXDS-UHFFFAOYSA-N
XLogP16.17
TPSA308.28 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001317.50
LogP ≤ 516.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[4-(trifluoromethyl)phenoxy]isoquinolin-6-amine
CID 134191708
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
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
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 157296911
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;methane
CID 158124834
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
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 160010351
N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine;N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine
CID 160127221
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
1-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 88079446
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

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?
The IUPAC name of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine (CID 159121209) is 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine is CCN(C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CCNc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1.
What is the InChIKey of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?
The InChIKey is KFSHAHFHUZHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O.C18H13N7.C18H18N6.C17H16N6/c1-14-4-7-17(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;1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25;1-3-24(2)18-14-7-6-13(11-12(14)8-10-20-18)21-17-16-15(22-23-17)5-4-9-19-16;1-2-18-16-13-6-5-12(10-11(13)7-9-20-16)21-17-15-14(22-23-17)4-3-8-19-15/h2-13H,1H3,(H2,25,26,27);1-11H,(H2,22,23,24);4-11H,3H2,1-2H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,21,22,23).
What are the key properties of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?
1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine has a molecular weight of 1317.50 g/mol, XLogP of 16.17, 15 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-N-ethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine is sourced from PubChem (CID 159121209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).