1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C100H105N29O5 — CID 161150412

IUPAC1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC(C)(C)COc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CN(C)CCOc1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.CN(C)CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cc2cc(Nc3[nH]nc4nccnc34)ccc2c(OCC2CCCCC2)n1.c1cnc2c(Nc3ccc4c(OCC5CCCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C22H23N5O.C21H22N6O.C20H21N5O.C19H20N6O.C18H19N7O/c1-2-5-15(6-3-1)14-28-22-18-9-8-17(13-16(18)10-12-24-22)25-21-20-19(26-27-21)7-4-11-23-20;1-2-4-14(5-3-1)13-28-21-17-7-6-16(12-15(17)8-9-24-21)25-20-18-19(26-27-20)23-11-10-22-18;1-20(2,3)12-26-19-15-7-6-14(11-13(15)8-10-22-19)23-18-17-16(24-25-18)5-4-9-21-17;1-25(2)10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17;1-25(2)9-10-26-18-14-4-3-13(11-12(14)5-6-21-18)22-17-15-16(23-24-17)20-8-7-19-15/h4,7-13,15H,1-3,5-6,14H2,(H2,25,26,27);6-12,14H,1-5,13H2,(H2,23,25,26,27);4-11H,12H2,1-3H3,(H2,23,24,25);3-9,12H,10-11H2,1-2H3,(H2,22,23,24);3-8,11H,9-10H2,1-2H3,(H2,20,22,23,24)
InChIKeyUOPJWGWAYDEBTL-UHFFFAOYSA-N
MW1793.14 g/mol
LogP20.26
Rot. Bonds26

About 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 161150412) has the molecular formula C100H105N29O5 and a molecular weight of 1793.14 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID161150412
Molecular FormulaC100H105N29O5
Molecular Weight1793.14 g/mol
Exact Mass1791.89
IUPAC Name1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC(C)(C)COc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CN(C)CCOc1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.CN(C)CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cc2cc(Nc3[nH]nc4nccnc34)ccc2c(OCC2CCCCC2)n1.c1cnc2c(Nc3ccc4c(OCC5CCCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C22H23N5O.C21H22N6O.C20H21N5O.C19H20N6O.C18H19N7O/c1-2-5-15(6-3-1)14-28-22-18-9-8-17(13-16(18)10-12-24-22)25-21-20-19(26-27-21)7-4-11-23-20;1-2-4-14(5-3-1)13-28-21-17-7-6-16(12-15(17)8-9-24-21)25-20-18-19(26-27-20)23-11-10-22-18;1-20(2,3)12-26-19-15-7-6-14(11-13(15)8-10-22-19)23-18-17-16(24-25-18)5-4-9-21-17;1-25(2)10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17;1-25(2)9-10-26-18-14-4-3-13(11-12(14)5-6-21-18)22-17-15-16(23-24-17)20-8-7-19-15/h4,7-13,15H,1-3,5-6,14H2,(H2,25,26,27);6-12,14H,1-5,13H2,(H2,23,25,26,27);4-11H,12H2,1-3H3,(H2,23,24,25);3-9,12H,10-11H2,1-2H3,(H2,22,23,24);3-8,11H,9-10H2,1-2H3,(H2,20,22,23,24)
InChIKeyUOPJWGWAYDEBTL-UHFFFAOYSA-N
XLogP20.26
TPSA410.86 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001793.14
LogP ≤ 520.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine with MolForge

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Related Compounds

US10227343, Example 23
CID 134191492
US10227343, Example 20
CID 134191652
1-[(3R)-oxolan-3-yl]oxy-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 134499153
1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 147222130
1-(oxan-4-ylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 149097795
1-(2-ethoxyethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 153198400
1-(1,4-dioxan-2-ylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 156227572
1-(2-morpholin-4-ylethoxy)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 156227573
1-(2-morpholin-4-ylethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 156227575
1-[(3S)-oxolan-3-yl]oxy-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 156227581
1-(oxolan-3-ylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 156227582
1-(2-methoxyethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 156227609

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 161150412) is 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CC(C)(C)COc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CN(C)CCOc1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.CN(C)CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cc2cc(Nc3[nH]nc4nccnc34)ccc2c(OCC2CCCCC2)n1.c1cnc2c(Nc3ccc4c(OCC5CCCCC5)nccc4c3)n[nH]c2c1.
What is the InChIKey of 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is UOPJWGWAYDEBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.C21H22N6O.C20H21N5O.C19H20N6O.C18H19N7O/c1-2-5-15(6-3-1)14-28-22-18-9-8-17(13-16(18)10-12-24-22)25-21-20-19(26-27-21)7-4-11-23-20;1-2-4-14(5-3-1)13-28-21-17-7-6-16(12-15(17)8-9-24-21)25-20-18-19(26-27-20)23-11-10-22-18;1-20(2,3)12-26-19-15-7-6-14(11-13(15)8-10-22-19)23-18-17-16(24-25-18)5-4-9-21-17;1-25(2)10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17;1-25(2)9-10-26-18-14-4-3-13(11-12(14)5-6-21-18)22-17-15-16(23-24-17)20-8-7-19-15/h4,7-13,15H,1-3,5-6,14H2,(H2,25,26,27);6-12,14H,1-5,13H2,(H2,23,25,26,27);4-11H,12H2,1-3H3,(H2,23,24,25);3-9,12H,10-11H2,1-2H3,(H2,22,23,24);3-8,11H,9-10H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 1793.14 g/mol, XLogP of 20.26, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 161150412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).