1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine

C11H14N4O — CID 131697629

IUPAC1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESNc1ccnc2c1cnn2C1CCCCO1
InChIInChI=1S/C11H14N4O/c12-9-4-5-13-11-8(9)7-14-15(11)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2,(H2,12,13)
InChIKeyBSBALZHONLSTKE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.71
Rot. Bonds1

About 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine

1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 131697629) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID131697629
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESNc1ccnc2c1cnn2C1CCCCO1
InChIInChI=1S/C11H14N4O/c12-9-4-5-13-11-8(9)7-14-15(11)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2,(H2,12,13)
InChIKeyBSBALZHONLSTKE-UHFFFAOYSA-N
XLogP1.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 131697629) is 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine is Nc1ccnc2c1cnn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is BSBALZHONLSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-9-4-5-13-11-8(9)7-14-15(11)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2,(H2,12,13).
What are the key properties of 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 131697629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).