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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C98H83N29O2 — CID 158657898

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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCCNc1cccc2cc(Nc3n[nH]c4cccnc34)cnc12.CCNc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc2c(c1)ccn2-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCOCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C23H16N6.C22H17N5O.C19H18N6O.2C17H16N6/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;1-2-16-17(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;1-2-18-13-6-3-5-11-9-12(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/h1-14H,(H2,26,27,28);2-13H,1H3,(H2,25,26,27);1-7,12H,8-11H2,(H2,22,23,24);3-10,18H,2H2,1H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,19,21,22,23)
InChIKeyICJMGDYKFGXMOT-UHFFFAOYSA-N
MW1698.94 g/mol
LogP20.99
Rot. Bonds18

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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 158657898) has the molecular formula C98H83N29O2 and a molecular weight of 1698.94 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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID158657898
Molecular FormulaC98H83N29O2
Molecular Weight1698.94 g/mol
Exact Mass1697.73
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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCCNc1cccc2cc(Nc3n[nH]c4cccnc34)cnc12.CCNc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc2c(c1)ccn2-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCOCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C23H16N6.C22H17N5O.C19H18N6O.2C17H16N6/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;1-2-16-17(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;1-2-18-13-6-3-5-11-9-12(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/h1-14H,(H2,26,27,28);2-13H,1H3,(H2,25,26,27);1-7,12H,8-11H2,(H2,22,23,24);3-10,18H,2H2,1H3,(H2,21,22,23);3-10H,2H2,1H3,(H,18,20)(H2,19,21,22,23)
InChIKeyICJMGDYKFGXMOT-UHFFFAOYSA-N
XLogP20.99
TPSA383.14 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001698.94
LogP ≤ 520.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

US10227343, Example 23
CID 134191492
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-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136943242
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136943266
N-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136943272
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136943280
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
5-[1-[1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137087338
5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pentylpyridin-3-amine
CID 138578207
N-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 139424276
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 139424367
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 139424541

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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 158657898) 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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CCNc1cccc2cc(Nc3n[nH]c4cccnc34)cnc12.CCNc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc2c(c1)ccn2-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(N5CCOCC5)nccc4c3)n[nH]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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is ICJMGDYKFGXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6.C22H17N5O.C19H18N6O.2C17H16N6/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;1-2-16-17(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;1-2-18-13-6-3-5-11-9-12(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/h1-14H,(H2,26,27,28);2-13H,1H3,(H2,25,26,27);1-7,12H,8-11H2,(H2,22,23,24);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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 1698.94 g/mol, XLogP of 20.99, 18 rotatable bonds, 12 hydrogen bond donors, and 26 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-indol-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-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 158657898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).