2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione

C23H16FN5O2 — CID 153357664

IUPAC2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C23H16FN5O2/c24-17-11-16-19(26-20(17)25-18-10-4-6-12-5-3-9-13(12)18)27-28-21(16)29-22(30)14-7-1-2-8-15(14)23(29)31/h1-2,4,6-8,10-11H,3,5,9H2,(H2,25,26,27,28)
InChIKeyASAVZWVDZRUEOO-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.13
Rot. Bonds3

About 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione

2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione (PubChem CID 153357664) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione
PubChem CID153357664
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC Name2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C23H16FN5O2/c24-17-11-16-19(26-20(17)25-18-10-4-6-12-5-3-9-13(12)18)27-28-21(16)29-22(30)14-7-1-2-8-15(14)23(29)31/h1-2,4,6-8,10-11H,3,5,9H2,(H2,25,26,27,28)
InChIKeyASAVZWVDZRUEOO-UHFFFAOYSA-N
XLogP4.13
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 162671500
N~4~-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16024348
N-(1-(1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 16809401
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822615
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
N-(1,3-dioxoisoindol-2-yl)-4-[[1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide
CID 164885615
6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026311
2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide
CID 20626267
N-[3-(3-amino-4-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 46202044
N-[3-(3-amino-4,5-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 46202380
N-[3-(3-amino-4,5-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 46202708
N-[3-[3-amino-4-methyl-5-[2-(methylamino)ethyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 46204331

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione (CID 153357664) is 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12.
What is the InChIKey of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione?
The InChIKey is ASAVZWVDZRUEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c24-17-11-16-19(26-20(17)25-18-10-4-6-12-5-3-9-13(12)18)27-28-21(16)29-22(30)14-7-1-2-8-15(14)23(29)31/h1-2,4,6-8,10-11H,3,5,9H2,(H2,25,26,27,28).
What are the key properties of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione?
2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione has a molecular weight of 413.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 153357664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).