1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine

C14H19N5O — CID 163547550

IUPAC1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILES[H]/N=C/c1cnc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C14H19N5O/c1-2-19-14-12(9-17-19)13(10(7-15)8-16-14)18-11-3-5-20-6-4-11/h7-9,11,15H,2-6H2,1H3,(H,16,18)/b15-7+
InChIKeyFGINTRKTCFFGBY-VIZOYTHASA-N
MW273.34 g/mol
LogP2.04
Rot. Bonds4

About 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 163547550) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID163547550
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILES[H]/N=C/c1cnc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C14H19N5O/c1-2-19-14-12(9-17-19)13(10(7-15)8-16-14)18-11-3-5-20-6-4-11/h7-9,11,15H,2-6H2,1H3,(H,16,18)/b15-7+
InChIKeyFGINTRKTCFFGBY-VIZOYTHASA-N
XLogP2.04
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 163547550) is 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine is [H]/N=C/c1cnc2c(cnn2CC)c1NC1CCOCC1.
What is the InChIKey of 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is FGINTRKTCFFGBY-VIZOYTHASA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-19-14-12(9-17-19)13(10(7-15)8-16-14)18-11-3-5-20-6-4-11/h7-9,11,15H,2-6H2,1H3,(H,16,18)/b15-7+.
What are the key properties of 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 163547550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).