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

C20H19N5O3 — CID 148983321

IUPAC1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5COCCO5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C20H19N5O3/c1-2-17-18(21-6-1)19(25-24-17)23-14-3-4-16-13(10-14)5-7-22-20(16)28-12-15-11-26-8-9-27-15/h1-7,10,15H,8-9,11-12H2,(H2,23,24,25)
InChIKeyPWDXPQTVNJXYNY-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.04
Rot. Bonds5

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

1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 148983321) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID148983321
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5COCCO5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C20H19N5O3/c1-2-17-18(21-6-1)19(25-24-17)23-14-3-4-16-13(10-14)5-7-22-20(16)28-12-15-11-26-8-9-27-15/h1-7,10,15H,8-9,11-12H2,(H2,23,24,25)
InChIKeyPWDXPQTVNJXYNY-UHFFFAOYSA-N
XLogP3.04
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1,4-dioxan-2-ylmethoxy)-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-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 148983321) is 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is c1cnc2c(Nc3ccc4c(OCC5COCCO5)nccc4c3)n[nH]c2c1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is PWDXPQTVNJXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-17-18(21-6-1)19(25-24-17)23-14-3-4-16-13(10-14)5-7-22-20(16)28-12-15-11-26-8-9-27-15/h1-7,10,15H,8-9,11-12H2,(H2,23,24,25).
What are the key properties of 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 377.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 148983321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).