7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine

C13H9FN6O — CID 134190224

IUPAC7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2c(F)cc(Nc3[nH]nc4nccnc34)cc12
InChIInChI=1S/C13H9FN6O/c1-6-8-4-7(5-9(14)11(8)21-20-6)17-13-10-12(18-19-13)16-3-2-15-10/h2-5H,1H3,(H2,16,17,18,19)
InChIKeyUOQBGCYXMDQRRV-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.69
Rot. Bonds2

About 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine

7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine (PubChem CID 134190224) has the molecular formula C13H9FN6O and a molecular weight of 284.25 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine
PubChem CID134190224
Molecular FormulaC13H9FN6O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2c(F)cc(Nc3[nH]nc4nccnc34)cc12
InChIInChI=1S/C13H9FN6O/c1-6-8-4-7(5-9(14)11(8)21-20-6)17-13-10-12(18-19-13)16-3-2-15-10/h2-5H,1H3,(H2,16,17,18,19)
InChIKeyUOQBGCYXMDQRRV-UHFFFAOYSA-N
XLogP2.69
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
The IUPAC name of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine (CID 134190224) is 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine.
What is the SMILES notation for 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
The canonical SMILES for 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine is Cc1noc2c(F)cc(Nc3[nH]nc4nccnc34)cc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
The InChIKey is UOQBGCYXMDQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN6O/c1-6-8-4-7(5-9(14)11(8)21-20-6)17-13-10-12(18-19-13)16-3-2-15-10/h2-5H,1H3,(H2,16,17,18,19).
What are the key properties of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine has a molecular weight of 284.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine is sourced from PubChem (CID 134190224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).