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

C26H35N7O4 — CID 67535958

IUPAC4-[[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
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(-c3nc(CC4CCN(C(=O)CC(C)C)CC4)no3)cnc21
InChIInChI=1S/C26H35N7O4/c1-4-33-25-19(15-28-33)24(29-18-7-10-36-23(35)13-18)20(14-27-25)26-30-21(31-37-26)12-17-5-8-32(9-6-17)22(34)11-16(2)3/h14-18H,4-13H2,1-3H3,(H,27,29)
InChIKeySUPDFNUHERSIEJ-UHFFFAOYSA-N
MW509.61 g/mol
LogP3.45
Rot. Bonds8

About 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

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 (PubChem CID 67535958) has the molecular formula C26H35N7O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID67535958
Molecular FormulaC26H35N7O4
Molecular Weight509.61 g/mol
Exact Mass509.28
IUPAC Name4-[[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
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(-c3nc(CC4CCN(C(=O)CC(C)C)CC4)no3)cnc21
InChIInChI=1S/C26H35N7O4/c1-4-33-25-19(15-28-33)24(29-18-7-10-36-23(35)13-18)20(14-27-25)26-30-21(31-37-26)12-17-5-8-32(9-6-17)22(34)11-16(2)3/h14-18H,4-13H2,1-3H3,(H,27,29)
InChIKeySUPDFNUHERSIEJ-UHFFFAOYSA-N
XLogP3.45
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-[[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
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
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
N-ethyl-5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 142675494
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430
1-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69008589
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
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-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]-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-[[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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1ncc2c(NC3CCOC(=O)C3)c(-c3nc(CC4CCN(C(=O)CC(C)C)CC4)no3)cnc21.
What is the InChIKey of 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?
The InChIKey is SUPDFNUHERSIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O4/c1-4-33-25-19(15-28-33)24(29-18-7-10-36-23(35)13-18)20(14-27-25)26-30-21(31-37-26)12-17-5-8-32(9-6-17)22(34)11-16(2)3/h14-18H,4-13H2,1-3H3,(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 509.61 g/mol, XLogP of 3.45, 8 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-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one is sourced from PubChem (CID 67535958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).