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

C20H21N5O — CID 134191493

IUPAC1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC(C)(C)COc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C20H21N5O/c1-20(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/h4-11H,12H2,1-3H3,(H2,23,24,25)
InChIKeyUNLYGVOODBGSRS-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.67
Rot. Bonds4

About 1-(2,2-dimethylpropoxy)-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 134191493) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191493
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC(C)(C)COc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C20H21N5O/c1-20(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/h4-11H,12H2,1-3H3,(H2,23,24,25)
InChIKeyUNLYGVOODBGSRS-UHFFFAOYSA-N
XLogP4.67
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191493) is 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 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.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is UNLYGVOODBGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-20(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/h4-11H,12H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(2,2-dimethylpropoxy)-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 347.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).