5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole

C17H22N6O2 — CID 141106672

IUPAC5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCC(Oc3ncnc4cn(C)nc34)CC2)n1
InChIInChI=1S/C17H22N6O2/c1-10(2)15-20-16(25-22-15)11-4-6-12(7-5-11)24-17-14-13(18-9-19-17)8-23(3)21-14/h8-12H,4-7H2,1-3H3
InChIKeyDPWADGSSFPQNBQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.97
Rot. Bonds4

About 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 141106672) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID141106672
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCC(Oc3ncnc4cn(C)nc34)CC2)n1
InChIInChI=1S/C17H22N6O2/c1-10(2)15-20-16(25-22-15)11-4-6-12(7-5-11)24-17-14-13(18-9-19-17)8-23(3)21-14/h8-12H,4-7H2,1-3H3
InChIKeyDPWADGSSFPQNBQ-UHFFFAOYSA-N
XLogP2.97
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-difluoro-4-[7-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxytriazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide
CID 87784076
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83091641
N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347914
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)quinolin-4-yl]oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 58735193
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 121098870
5-[4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 44514990
3-(1-chloroethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 102661013
5-[4-[3-[4-(amino-methylidene-oxo-λ6-sulfanyl)-2,5-difluorophenyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 88977338
5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171914795
N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine
CID 75220210
5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131892778

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 141106672) is 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2CCC(Oc3ncnc4cn(C)nc34)CC2)n1.
What is the InChIKey of 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DPWADGSSFPQNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10(2)15-20-16(25-22-15)11-4-6-12(7-5-11)24-17-14-13(18-9-19-17)8-23(3)21-14/h8-12H,4-7H2,1-3H3.
What are the key properties of 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 342.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpyrazolo[4,3-d]pyrimidin-7-yl)oxycyclohexyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 141106672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).