6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C16H13FN6O — CID 139382186

IUPAC6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2ccccc2F)n1
InChIInChI=1S/C16H13FN6O/c1-9-11(14(18)15-16(19-9)22-24-21-15)8-23-7-6-13(20-23)10-4-2-3-5-12(10)17/h2-7H,8,18H2,1H3
InChIKeyMNHQDVDXXWXXMZ-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.56
Rot. Bonds3

About 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139382186) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139382186
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2ccccc2F)n1
InChIInChI=1S/C16H13FN6O/c1-9-11(14(18)15-16(19-9)22-24-21-15)8-23-7-6-13(20-23)10-4-2-3-5-12(10)17/h2-7H,8,18H2,1H3
InChIKeyMNHQDVDXXWXXMZ-UHFFFAOYSA-N
XLogP2.56
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139382186) is 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccccc2F)n1.
What is the InChIKey of 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is MNHQDVDXXWXXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-9-11(14(18)15-16(19-9)22-24-21-15)8-23-7-6-13(20-23)10-4-2-3-5-12(10)17/h2-7H,8,18H2,1H3.
What are the key properties of 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 324.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139382186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).