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

C22H27N7O4 — CID 67535524

IUPAC4-[[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
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(-c3nc(CC(=O)N4CCCCC4)no3)cnc21
InChIInChI=1S/C22H27N7O4/c1-2-29-21-15(13-24-29)20(25-14-6-9-32-19(31)10-14)16(12-23-21)22-26-17(27-33-22)11-18(30)28-7-4-3-5-8-28/h12-14H,2-11H2,1H3,(H,23,25)
InChIKeyBXLMERCDIYHPTL-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.17
Rot. Bonds6

About 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

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 (PubChem CID 67535524) has the molecular formula C22H27N7O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID67535524
Molecular FormulaC22H27N7O4
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name4-[[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
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(-c3nc(CC(=O)N4CCCCC4)no3)cnc21
InChIInChI=1S/C22H27N7O4/c1-2-29-21-15(13-24-29)20(25-14-6-9-32-19(31)10-14)16(12-23-21)22-26-17(27-33-22)11-18(30)28-7-4-3-5-8-28/h12-14H,2-11H2,1H3,(H,23,25)
InChIKeyBXLMERCDIYHPTL-UHFFFAOYSA-N
XLogP2.17
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2-[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]-1-piperidin-1-ylethanone
CID 10048838
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
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-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535279
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
N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
CID 10028249
4-[[5-[5,5-bis(pyrrolidine-1-carbonyl)-4H-1,2-oxazol-3-yl]-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-one
CID 25071971
4-[[5-[5,5-bis(piperidine-1-carbonyl)-2H-1,2-oxazol-3-yl]-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-one
CID 123656935
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1ncc2c(NC3CCOC(=O)C3)c(-c3nc(CC(=O)N4CCCCC4)no3)cnc21.
What is the InChIKey of 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?
The InChIKey is BXLMERCDIYHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O4/c1-2-29-21-15(13-24-29)20(25-14-6-9-32-19(31)10-14)16(12-23-21)22-26-17(27-33-22)11-18(30)28-7-4-3-5-8-28/h12-14H,2-11H2,1H3,(H,23,25).
What are the key properties of 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?
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 has a molecular weight of 453.50 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67535524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).