N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide

C22H25N7O4S — CID 10028249

IUPACN-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nc(CNS(=O)(=O)c4ccccc4)no3)cnc21
InChIInChI=1S/C22H25N7O4S/c1-2-29-21-17(13-24-29)20(26-15-8-10-32-11-9-15)18(12-23-21)22-27-19(28-33-22)14-25-34(30,31)16-6-4-3-5-7-16/h3-7,12-13,15,25H,2,8-11,14H2,1H3,(H,23,26)
InChIKeyVRNRMYXFIQDVFF-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.57
Rot. Bonds8

About N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide

N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (PubChem CID 10028249) has the molecular formula C22H25N7O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
PubChem CID10028249
Molecular FormulaC22H25N7O4S
Molecular Weight483.55 g/mol
Exact Mass483.17
IUPAC NameN-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nc(CNS(=O)(=O)c4ccccc4)no3)cnc21
InChIInChI=1S/C22H25N7O4S/c1-2-29-21-17(13-24-29)20(26-15-8-10-32-11-9-15)18(12-23-21)22-27-19(28-33-22)14-25-34(30,31)16-6-4-3-5-7-16/h3-7,12-13,15,25H,2,8-11,14H2,1H3,(H,23,26)
InChIKeyVRNRMYXFIQDVFF-UHFFFAOYSA-N
XLogP2.57
TPSA137.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide 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
1-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;phenylmethanamine
CID 161002702
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
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
N-[4-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylsulfamoyl]phenyl]acetamide
CID 67031291
1-ethyl-N-[4-(methylsulfamoyl)phenyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69009965
benzenesulfonic acid;5-(chloromethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 87243328
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
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
N-cyclopentyl-1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10362966
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
N-[(4-carbamoylphenyl)methyl]-2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide
CID 10028491

Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 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) is N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is CCn1ncc2c(NC3CCOCC3)c(-c3nc(CNS(=O)(=O)c4ccccc4)no3)cnc21.
What is the InChIKey of N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is VRNRMYXFIQDVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4S/c1-2-29-21-17(13-24-29)20(26-15-8-10-32-11-9-15)18(12-23-21)22-27-19(28-33-22)14-25-34(30,31)16-6-4-3-5-7-16/h3-7,12-13,15,25H,2,8-11,14H2,1H3,(H,23,26).
What are the key properties of N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 10028249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).