5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

C13H11F2N5 — CID 164844279

IUPAC5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCc1ccc(F)c(Nc2nc3n[nH]c(N)c3cc2F)c1
InChIInChI=1S/C13H11F2N5/c1-6-2-3-8(14)10(4-6)17-13-9(15)5-7-11(16)19-20-12(7)18-13/h2-5H,1H3,(H4,16,17,18,19,20)
InChIKeyNRBNXUBXMSVDGI-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.87
Rot. Bonds2

About 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 164844279) has the molecular formula C13H11F2N5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

Compound Name5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
PubChem CID164844279
Molecular FormulaC13H11F2N5
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Name5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCc1ccc(F)c(Nc2nc3n[nH]c(N)c3cc2F)c1
InChIInChI=1S/C13H11F2N5/c1-6-2-3-8(14)10(4-6)17-13-9(15)5-7-11(16)19-20-12(7)18-13/h2-5H,1H3,(H4,16,17,18,19,20)
InChIKeyNRBNXUBXMSVDGI-UHFFFAOYSA-N
XLogP2.87
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The IUPAC name of 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (CID 164844279) is 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.
What is the SMILES notation for 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The canonical SMILES for 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is Cc1ccc(F)c(Nc2nc3n[nH]c(N)c3cc2F)c1.
What is the InChIKey of 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The InChIKey is NRBNXUBXMSVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5/c1-6-2-3-8(14)10(4-6)17-13-9(15)5-7-11(16)19-20-12(7)18-13/h2-5H,1H3,(H4,16,17,18,19,20).
What are the key properties of 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 275.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-N-(2-fluoro-5-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 164844279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).