3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole

C12H11N5O — CID 167799681

IUPAC3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole
SMILESc1nc2[nH]ncc2cc1-c1nc(C2CCC2)no1
InChIInChI=1S/C12H11N5O/c1-2-7(3-1)11-15-12(18-17-11)9-4-8-6-14-16-10(8)13-5-9/h4-7H,1-3H2,(H,13,14,16)
InChIKeyCBHWRIPPWZXYLW-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.28
Rot. Bonds2

About 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole

3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 167799681) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole
PubChem CID167799681
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole
SMILESc1nc2[nH]ncc2cc1-c1nc(C2CCC2)no1
InChIInChI=1S/C12H11N5O/c1-2-7(3-1)11-15-12(18-17-11)9-4-8-6-14-16-10(8)13-5-9/h4-7H,1-3H2,(H,13,14,16)
InChIKeyCBHWRIPPWZXYLW-UHFFFAOYSA-N
XLogP2.28
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-5-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazole
CID 167811218
2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline
CID 82830646
3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine
CID 138014323
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 126787693
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
4-bromo-3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)aniline
CID 113281173
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 146568042

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole (CID 167799681) is 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole is c1nc2[nH]ncc2cc1-c1nc(C2CCC2)no1.
What is the InChIKey of 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is CBHWRIPPWZXYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-2-7(3-1)11-15-12(18-17-11)9-4-8-6-14-16-10(8)13-5-9/h4-7H,1-3H2,(H,13,14,16).
What are the key properties of 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole?
3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 241.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167799681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).