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

C22H26FN5O — CID 164844323

IUPAC6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCN(C)c1nn(C2CCCCO2)c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C22H26FN5O/c1-27(2)22-16-13-17(23)20(24-18-10-6-8-14-7-5-9-15(14)18)25-21(16)28(26-22)19-11-3-4-12-29-19/h6,8,10,13,19H,3-5,7,9,11-12H2,1-2H3,(H,24,25)
InChIKeyFOZCOUVWMGISQI-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.57
Rot. Bonds4

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

6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 164844323) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine
PubChem CID164844323
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCN(C)c1nn(C2CCCCO2)c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C22H26FN5O/c1-27(2)22-16-13-17(23)20(24-18-10-6-8-14-7-5-9-15(14)18)25-21(16)28(26-22)19-11-3-4-12-29-19/h6,8,10,13,19H,3-5,7,9,11-12H2,1-2H3,(H,24,25)
InChIKeyFOZCOUVWMGISQI-UHFFFAOYSA-N
XLogP4.57
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
The IUPAC name of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine (CID 164844323) is 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine.
What is the SMILES notation for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
The canonical SMILES for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine is CN(C)c1nn(C2CCCCO2)c2nc(Nc3cccc4c3CCC4)c(F)cc12.
What is the InChIKey of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
The InChIKey is FOZCOUVWMGISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-27(2)22-16-13-17(23)20(24-18-10-6-8-14-7-5-9-15(14)18)25-21(16)28(26-22)19-11-3-4-12-29-19/h6,8,10,13,19H,3-5,7,9,11-12H2,1-2H3,(H,24,25).
What are the key properties of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 395.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-3-N,3-N-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 164844323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).