1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine

C23H33N5O3 — CID 143430265

IUPAC1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCC(=O)c1cc(C)no1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC
InChIInChI=1S/C17H26N4O.C6H7NO2/c1-4-13-15(5-2)20-17-14(11-18-21(17)6-3)16(13)19-12-7-9-22-10-8-12;1-4-3-6(5(2)8)9-7-4/h11-12H,4-10H2,1-3H3,(H,19,20);3H,1-2H3
InChIKeyXIZRIEHUXSMWEF-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.35
Rot. Bonds6

About 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine

1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 143430265) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID143430265
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCC(=O)c1cc(C)no1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC
InChIInChI=1S/C17H26N4O.C6H7NO2/c1-4-13-15(5-2)20-17-14(11-18-21(17)6-3)16(13)19-12-7-9-22-10-8-12;1-4-3-6(5(2)8)9-7-4/h11-12H,4-10H2,1-3H3,(H,19,20);3H,1-2H3
InChIKeyXIZRIEHUXSMWEF-UHFFFAOYSA-N
XLogP4.35
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 143430265) is 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine is CC(=O)c1cc(C)no1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is XIZRIEHUXSMWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.C6H7NO2/c1-4-13-15(5-2)20-17-14(11-18-21(17)6-3)16(13)19-12-7-9-22-10-8-12;1-4-3-6(5(2)8)9-7-4/h11-12H,4-10H2,1-3H3,(H,19,20);3H,1-2H3.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine?
1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 427.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 143430265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).