6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine

C20H21N5O — CID 46239835

IUPAC6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(NCCc3ccncc3)c2c1
InChIInChI=1S/C20H21N5O/c1-12-10-15(26-3)11-16-18(12)23-20-17(13(2)24-25-20)19(16)22-9-6-14-4-7-21-8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,22,23,24,25)
InChIKeySDYQZLQJADODFL-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.79
Rot. Bonds5

About 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine

6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 46239835) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
PubChem CID46239835
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(NCCc3ccncc3)c2c1
InChIInChI=1S/C20H21N5O/c1-12-10-15(26-3)11-16-18(12)23-20-17(13(2)24-25-20)19(16)22-9-6-14-4-7-21-8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,22,23,24,25)
InChIKeySDYQZLQJADODFL-UHFFFAOYSA-N
XLogP3.79
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine (CID 46239835) is 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine is COc1cc(C)c2nc3n[nH]c(C)c3c(NCCc3ccncc3)c2c1.
What is the InChIKey of 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is SDYQZLQJADODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-10-15(26-3)11-16-18(12)23-20-17(13(2)24-25-20)19(16)22-9-6-14-4-7-21-8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 347.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 46239835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).