1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C18H23ClN6O — CID 120863351

IUPAC1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(C)n1ncc2c(-c3nc(C4(N)CCC4)no3)cc(C3CC3)nc21.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-10(2)24-15-13(9-20-24)12(8-14(21-15)11-4-5-11)16-22-17(23-25-16)18(19)6-3-7-18;/h8-11H,3-7,19H2,1-2H3;1H
InChIKeyIPDQFTTWZSCLKD-UHFFFAOYSA-N
MW374.88 g/mol
LogP3.70
Rot. Bonds4

About 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120863351) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120863351
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(C)n1ncc2c(-c3nc(C4(N)CCC4)no3)cc(C3CC3)nc21.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-10(2)24-15-13(9-20-24)12(8-14(21-15)11-4-5-11)16-22-17(23-25-16)18(19)6-3-7-18;/h8-11H,3-7,19H2,1-2H3;1H
InChIKeyIPDQFTTWZSCLKD-UHFFFAOYSA-N
XLogP3.70
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride with MolForge

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Related Compounds

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
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-(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
3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 166213616
1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850850
5-[6-cyclopropyl-1-[(1S)-1-cyclopropylethyl]pyrazolo[5,4-b]pyridin-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97212063
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120851473
1-[5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851406
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936
1-[5-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858892
6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 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) is 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CC(C)n1ncc2c(-c3nc(C4(N)CCC4)no3)cc(C3CC3)nc21.Cl.
What is the InChIKey of 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is IPDQFTTWZSCLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O.ClH/c1-10(2)24-15-13(9-20-24)12(8-14(21-15)11-4-5-11)16-22-17(23-25-16)18(19)6-3-7-18;/h8-11H,3-7,19H2,1-2H3;1H.
What are the key properties of 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 374.88 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).