6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine

C16H16FN5 — CID 152576373

IUPAC6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCn1nc(N)c2cc(F)c(Nc3cccc4c3CCC4)nc21
InChIInChI=1S/C16H16FN5/c1-22-16-11(14(18)21-22)8-12(17)15(20-16)19-13-7-3-5-9-4-2-6-10(9)13/h3,5,7-8H,2,4,6H2,1H3,(H2,18,21)(H,19,20)
InChIKeyYSODVZUMZFRTCB-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.92
Rot. Bonds2

About 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine

6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 152576373) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine
PubChem CID152576373
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCn1nc(N)c2cc(F)c(Nc3cccc4c3CCC4)nc21
InChIInChI=1S/C16H16FN5/c1-22-16-11(14(18)21-22)8-12(17)15(20-16)19-13-7-3-5-9-4-2-6-10(9)13/h3,5,7-8H,2,4,6H2,1H3,(H2,18,21)(H,19,20)
InChIKeyYSODVZUMZFRTCB-UHFFFAOYSA-N
XLogP2.92
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine?
The IUPAC name of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine (CID 152576373) is 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine.
What is the SMILES notation for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine?
The canonical SMILES for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine is Cn1nc(N)c2cc(F)c(Nc3cccc4c3CCC4)nc21.
What is the InChIKey of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine?
The InChIKey is YSODVZUMZFRTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-22-16-11(14(18)21-22)8-12(17)15(20-16)19-13-7-3-5-9-4-2-6-10(9)13/h3,5,7-8H,2,4,6H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine?
6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 297.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 152576373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).