1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine

C17H15FN6O — CID 10404850

IUPAC1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccc(F)cc3)c(-c3nc(C)no3)cnc21
InChIInChI=1S/C17H15FN6O/c1-3-24-16-13(9-20-24)15(22-12-6-4-11(18)5-7-12)14(8-19-16)17-21-10(2)23-25-17/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyIIUNZVMGHNVXAW-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.69
Rot. Bonds4

About 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 10404850) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID10404850
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccc(F)cc3)c(-c3nc(C)no3)cnc21
InChIInChI=1S/C17H15FN6O/c1-3-24-16-13(9-20-24)15(22-12-6-4-11(18)5-7-12)14(8-19-16)17-21-10(2)23-25-17/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyIIUNZVMGHNVXAW-UHFFFAOYSA-N
XLogP3.69
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178380
N-(3-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064374
N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
CID 53178355
N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064457
1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66732911
5-(2,2-dihydroxy-5-oxa-2λ4-thia-6-azaspiro[3.4]oct-6-en-7-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66732374
N-[[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
CID 10028249
1-(1-iodoethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 67529190
2-[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]-1-piperidin-1-ylethanone
CID 10048838
1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
CID 67530047
ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 44561081
1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 58629406

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 10404850) is 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(Nc3ccc(F)cc3)c(-c3nc(C)no3)cnc21.
What is the InChIKey of 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is IIUNZVMGHNVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-3-24-16-13(9-20-24)15(22-12-6-4-11(18)5-7-12)14(8-19-16)17-21-10(2)23-25-17/h4-9H,3H2,1-2H3,(H,19,22).
What are the key properties of 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 338.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 10404850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).