1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine

C13H18N4O — CID 69065838

IUPAC1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)ccnc21
InChIInChI=1S/C13H18N4O/c1-2-17-13-11(9-15-17)12(3-6-14-13)16-10-4-7-18-8-5-10/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,14,16)
InChIKeyGBHQZNSOSWLYDX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.04
Rot. Bonds3

About 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 69065838) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID69065838
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)ccnc21
InChIInChI=1S/C13H18N4O/c1-2-17-13-11(9-15-17)12(3-6-14-13)16-10-4-7-18-8-5-10/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,14,16)
InChIKeyGBHQZNSOSWLYDX-UHFFFAOYSA-N
XLogP2.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 69065838) is 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NC3CCOCC3)ccnc21.
What is the InChIKey of 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is GBHQZNSOSWLYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-17-13-11(9-15-17)12(3-6-14-13)16-10-4-7-18-8-5-10/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,14,16).
What are the key properties of 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 246.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 69065838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).