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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Related Compounds

6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
CID 164844282
3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
CID 114073968
4-[(3-amino-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 150001038
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
2-chloro-6-(2,3-dimethylanilino)-5-fluoropyridine-3-carbonitrile;6-N-(2,3-dimethylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine;hydrazine;hydrate
CID 167542184
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
2-chloro-5-fluoro-6-[(1-methylindol-4-yl)amino]pyridine-3-carbonitrile;5-fluoro-6-N-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine;hydrazine;hydrate
CID 167585061
2-tert-butyl-4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80976688
2-chloro-5-fluoro-6-(2-fluoro-5-methylanilino)pyridine-3-carbonitrile
CID 167654468
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902
3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 104506356
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557

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).