cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

C21H24N4O — CID 156844538

IUPACcyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESC1CCC1.CCNc1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2
InChIInChI=1S/C17H16N4O.C4H8/c1-2-18-16-7-6-15-14-5-4-13(21-9-3-8-19-21)10-12(14)11-22-17(15)20-16;1-2-4-3-1/h3-10H,2,11H2,1H3,(H,18,20);1-4H2
InChIKeyFXLZFULHIBPPRA-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.82
Rot. Bonds3

About cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844538) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Namecyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844538
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Namecyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESC1CCC1.CCNc1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2
InChIInChI=1S/C17H16N4O.C4H8/c1-2-18-16-7-6-15-14-5-4-13(21-9-3-8-19-21)10-12(14)11-22-17(15)20-16;1-2-4-3-1/h3-10H,2,11H2,1H3,(H,18,20);1-4H2
InChIKeyFXLZFULHIBPPRA-UHFFFAOYSA-N
XLogP4.82
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844538) is cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is C1CCC1.CCNc1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2.
What is the InChIKey of cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is FXLZFULHIBPPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O.C4H8/c1-2-18-16-7-6-15-14-5-4-13(21-9-3-8-19-21)10-12(14)11-22-17(15)20-16;1-2-4-3-1/h3-10H,2,11H2,1H3,(H,18,20);1-4H2.
What are the key properties of cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).