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

C21H21N5O2 — CID 134191653

IUPAC1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5CCCCO5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C21H21N5O2/c1-2-11-27-16(4-1)13-28-21-17-7-6-15(12-14(17)8-10-23-21)24-20-19-18(25-26-20)5-3-9-22-19/h3,5-10,12,16H,1-2,4,11,13H2,(H2,24,25,26)
InChIKeyRIRPFFVDLRAZQP-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.20
Rot. Bonds5

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

1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191653) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191653
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5CCCCO5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C21H21N5O2/c1-2-11-27-16(4-1)13-28-21-17-7-6-15(12-14(17)8-10-23-21)24-20-19-18(25-26-20)5-3-9-22-19/h3,5-10,12,16H,1-2,4,11,13H2,(H2,24,25,26)
InChIKeyRIRPFFVDLRAZQP-UHFFFAOYSA-N
XLogP4.20
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191653) is 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is c1cnc2c(Nc3ccc4c(OCC5CCCCO5)nccc4c3)n[nH]c2c1.
What is the InChIKey of 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is RIRPFFVDLRAZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-11-27-16(4-1)13-28-21-17-7-6-15(12-14(17)8-10-23-21)24-20-19-18(25-26-20)5-3-9-22-19/h3,5-10,12,16H,1-2,4,11,13H2,(H2,24,25,26).
What are the key properties of 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 375.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).