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

C18H19N7O — CID 134191492

IUPAC1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
SMILESCN(C)CCOc1nccc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C18H19N7O/c1-25(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/h3-8,11H,9-10H2,1-2H3,(H2,20,22,23,24)
InChIKeyXPWQJAYTPZLLGR-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.59
Rot. Bonds6

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

1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine (PubChem CID 134191492) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
PubChem CID134191492
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
SMILESCN(C)CCOc1nccc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C18H19N7O/c1-25(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/h3-8,11H,9-10H2,1-2H3,(H2,20,22,23,24)
InChIKeyXPWQJAYTPZLLGR-UHFFFAOYSA-N
XLogP2.59
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-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

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
3-Phenyl-6-(pyrazin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11152417
6-(3-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 11440027
Phenethyl-[6-([1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-amine
CID 11235249
7-(2,6-dimethylphenyl)-5-methyl-N-(2-(2-(pyrrolidin-1-yl)ethoxy)pyridin-4-yl)benzo[e][1,2,4]triazin-3-amine
CID 44425303
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706159
8-N,8-N-diethyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90000723
N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191965
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192062
N-[1-methyl-3-(oxan-4-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192169
N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine
CID 135218536
3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
CID 164610621

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine (CID 134191492) is 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine is CN(C)CCOc1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine?
The InChIKey is XPWQJAYTPZLLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-25(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/h3-8,11H,9-10H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine?
1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine has a molecular weight of 349.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethoxy]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).