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

C16H13FN6O — CID 139382003

IUPAC6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1nccc1-c1ccccc1F
InChIInChI=1S/C16H13FN6O/c1-9-11(14(18)15-16(20-9)22-24-21-15)8-23-13(6-7-19-23)10-4-2-3-5-12(10)17/h2-7H,8,18H2,1H3
InChIKeyDENXFSFSNJROBA-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.56
Rot. Bonds3

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

6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139382003) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139382003
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1nccc1-c1ccccc1F
InChIInChI=1S/C16H13FN6O/c1-9-11(14(18)15-16(20-9)22-24-21-15)8-23-13(6-7-19-23)10-4-2-3-5-12(10)17/h2-7H,8,18H2,1H3
InChIKeyDENXFSFSNJROBA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Avapritinib
CID 118023034
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
Asp-2535
CID 9800113
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
CID 138105936
CID 138105936
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
5-Fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
CID 89720345

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139382003) is 6-[[5-(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-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cn1nccc1-c1ccccc1F.
What is the InChIKey of 6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is DENXFSFSNJROBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-9-11(14(18)15-16(20-9)22-24-21-15)8-23-13(6-7-19-23)10-4-2-3-5-12(10)17/h2-7H,8,18H2,1H3.
What are the key properties of 6-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[5-(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-[[5-(2-fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139382003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).