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

C19H19N5O2 — CID 147700938

IUPAC1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCO[C@H](C)COc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C19H19N5O2/c1-12(25-2)11-26-19-15-6-5-14(10-13(15)7-9-21-19)22-18-16-4-3-8-20-17(16)23-24-18/h3-10,12H,11H2,1-2H3,(H2,20,22,23,24)/t12-/m1/s1
InChIKeyGSVFYJSKYYNJKX-GFCCVEGCSA-N
MW349.39 g/mol
LogP3.66
Rot. Bonds6

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

1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 147700938) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID147700938
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCO[C@H](C)COc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C19H19N5O2/c1-12(25-2)11-26-19-15-6-5-14(10-13(15)7-9-21-19)22-18-16-4-3-8-20-17(16)23-24-18/h3-10,12H,11H2,1-2H3,(H2,20,22,23,24)/t12-/m1/s1
InChIKeyGSVFYJSKYYNJKX-GFCCVEGCSA-N
XLogP3.66
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (CID 147700938) is 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is CO[C@H](C)COc1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.
What is the InChIKey of 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is GSVFYJSKYYNJKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12(25-2)11-26-19-15-6-5-14(10-13(15)7-9-21-19)22-18-16-4-3-8-20-17(16)23-24-18/h3-10,12H,11H2,1-2H3,(H2,20,22,23,24)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 349.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methoxypropoxy]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 147700938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).