4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one

C18H23N5O3 — CID 67535279

IUPAC4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(C3=NC(C)(C)CO3)cnc21
InChIInChI=1S/C18H23N5O3/c1-4-23-16-12(9-20-23)15(21-11-5-6-25-14(24)7-11)13(8-19-16)17-22-18(2,3)10-26-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyVOPTYUPDZGESNZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.12
Rot. Bonds4

About 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one

4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one (PubChem CID 67535279) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one.

Molecular Properties

Compound Name4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
PubChem CID67535279
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(C3=NC(C)(C)CO3)cnc21
InChIInChI=1S/C18H23N5O3/c1-4-23-16-12(9-20-23)15(21-11-5-6-25-14(24)7-11)13(8-19-16)17-22-18(2,3)10-26-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyVOPTYUPDZGESNZ-UHFFFAOYSA-N
XLogP2.12
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one with MolForge

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Related Compounds

4-[[5-[5-[(1-acetylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535722
N-[[5-[1-ethyl-4-[(2-oxooxan-4-yl)amino]pyrazolo[3,4-b]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylacetamide
CID 67534592
4-[[1-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535524
4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535097
4-[[1-ethyl-5-[3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535958
1-ethyl-5-[5-(3-methyloxetan-3-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 10091416
1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10386157
1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 91176499
7-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxylic acid
CID 66733084
5-N,5-N'-di(cyclobutyl)-3-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-4H-1,2-oxazole-5,5-dicarboxamide
CID 67220220
5-(chloromethyl)-1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 67031384
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-5-N,5-N'-diethyl-4H-1,2-oxazole-5,5-dicarboxamide
CID 67220794

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
The IUPAC name of 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one (CID 67535279) is 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one.
What is the SMILES notation for 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
The canonical SMILES for 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one is CCn1ncc2c(NC3CCOC(=O)C3)c(C3=NC(C)(C)CO3)cnc21.
What is the InChIKey of 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
The InChIKey is VOPTYUPDZGESNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-23-16-12(9-20-23)15(21-11-5-6-25-14(24)7-11)13(8-19-16)17-22-18(2,3)10-26-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one has a molecular weight of 357.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one is sourced from PubChem (CID 67535279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).