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

C22H31N7O4S — CID 142675494

IUPACN-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
SMILESCCNc1c(-c2nc(CC3CCN(S(C)(=O)=O)CC3)no2)cnc2c1cnn2C1CCOCC1
InChIInChI=1S/C22H31N7O4S/c1-3-23-20-17-14-25-29(16-6-10-32-11-7-16)21(17)24-13-18(20)22-26-19(27-33-22)12-15-4-8-28(9-5-15)34(2,30)31/h13-16H,3-12H2,1-2H3,(H,23,24)
InChIKeyXSOQXLKTSPAERJ-UHFFFAOYSA-N
MW489.60 g/mol
LogP2.48
Rot. Bonds7

About 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

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 (PubChem CID 142675494) has the molecular formula C22H31N7O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID142675494
Molecular FormulaC22H31N7O4S
Molecular Weight489.60 g/mol
Exact Mass489.22
IUPAC NameN-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
SMILESCCNc1c(-c2nc(CC3CCN(S(C)(=O)=O)CC3)no2)cnc2c1cnn2C1CCOCC1
InChIInChI=1S/C22H31N7O4S/c1-3-23-20-17-14-25-29(16-6-10-32-11-7-16)21(17)24-13-18(20)22-26-19(27-33-22)12-15-4-8-28(9-5-15)34(2,30)31/h13-16H,3-12H2,1-2H3,(H,23,24)
InChIKeyXSOQXLKTSPAERJ-UHFFFAOYSA-N
XLogP2.48
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
CID 10028249
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-(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
5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56708391
5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 167870953
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3-(cyclopropylmethyl)-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
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1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
1-ethyl-N-(1-methylsulfonylpiperidin-4-yl)-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 90890342
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNc1c(-c2nc(CC3CCN(S(C)(=O)=O)CC3)no2)cnc2c1cnn2C1CCOCC1.
What is the InChIKey of 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?
The InChIKey is XSOQXLKTSPAERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O4S/c1-3-23-20-17-14-25-29(16-6-10-32-11-7-16)21(17)24-13-18(20)22-26-19(27-33-22)12-15-4-8-28(9-5-15)34(2,30)31/h13-16H,3-12H2,1-2H3,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 489.60 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142675494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).