5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C22H26N8O3 — CID 91101444

IUPAC5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(OC3CCN(c4nc(C(C)C)no4)CC3)c3cn[nH]c3n2)c(C)n1
InChIInChI=1S/C22H26N8O3/c1-12(2)18-27-22(33-29-18)30-9-7-14(8-10-30)32-21-16-11-23-28-20(16)25-19(26-21)15-5-6-17(31-4)24-13(15)3/h5-6,11-12,14H,7-10H2,1-4H3,(H,23,25,26,28)
InChIKeyBOWTVOKWHAQDHM-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.29
Rot. Bonds6

About 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 91101444) has the molecular formula C22H26N8O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID91101444
Molecular FormulaC22H26N8O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(OC3CCN(c4nc(C(C)C)no4)CC3)c3cn[nH]c3n2)c(C)n1
InChIInChI=1S/C22H26N8O3/c1-12(2)18-27-22(33-29-18)30-9-7-14(8-10-30)32-21-16-11-23-28-20(16)25-19(26-21)15-5-6-17(31-4)24-13(15)3/h5-6,11-12,14H,7-10H2,1-4H3,(H,23,25,26,28)
InChIKeyBOWTVOKWHAQDHM-UHFFFAOYSA-N
XLogP3.29
TPSA127.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 140516723
methyl 4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxythieno[3,2-d]pyrimidin-7-yl]benzoate
CID 57414208
5-[4-[1-(3,4-difluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 141175540
1-(4-fluorophenyl)-N-[5-methyl-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]oxyethanimine
CID 74975100
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
4-[5-methyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrrolo[3,2-d]pyrimidin-7-yl]aniline
CID 57414986
5-[4-[8-(2-fluoro-4-isocyanophenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 58735252
5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 58735213
5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-amine;propan-2-yl 4-[6-[[6-(hydroxymethyl)-4-methyl-3-pyridinyl]amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 87898232
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 135154189
5-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59856806

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 91101444) is 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is COc1ccc(-c2nc(OC3CCN(c4nc(C(C)C)no4)CC3)c3cn[nH]c3n2)c(C)n1.
What is the InChIKey of 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is BOWTVOKWHAQDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3/c1-12(2)18-27-22(33-29-18)30-9-7-14(8-10-30)32-21-16-11-23-28-20(16)25-19(26-21)15-5-6-17(31-4)24-13(15)3/h5-6,11-12,14H,7-10H2,1-4H3,(H,23,25,26,28).
What are the key properties of 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 450.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).