1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C18H24N6O — CID 120863440

IUPAC1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)c1cc(-c2nc(C3(N)CCC3)no2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H24N6O/c1-10(2)14-8-12(13-9-20-24(11(3)4)15(13)21-14)16-22-17(23-25-16)18(19)6-5-7-18/h8-11H,5-7,19H2,1-4H3
InChIKeyGSXPKSYKJGCIJK-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.52
Rot. Bonds4

About 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120863440) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120863440
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)c1cc(-c2nc(C3(N)CCC3)no2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H24N6O/c1-10(2)14-8-12(13-9-20-24(11(3)4)15(13)21-14)16-22-17(23-25-16)18(19)6-5-7-18/h8-11H,5-7,19H2,1-4H3
InChIKeyGSXPKSYKJGCIJK-UHFFFAOYSA-N
XLogP3.52
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854020
1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863351
1-[5-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863989
1-[5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855895
1-[5-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861370
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 120861296
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864500
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
1-[5-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864543
1-[5-(2-fluoro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860029

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120863440) is 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC(C)c1cc(-c2nc(C3(N)CCC3)no2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is GSXPKSYKJGCIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-10(2)14-8-12(13-9-20-24(11(3)4)15(13)21-14)16-22-17(23-25-16)18(19)6-5-7-18/h8-11H,5-7,19H2,1-4H3.
What are the key properties of 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 340.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120863440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).