3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one

C19H18FN5O — CID 24880057

IUPAC3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1ncnc2nn(C3CCCCC3)cc12
InChIInChI=1S/C19H18FN5O/c20-11-6-7-15-13(8-11)16(19(26)23-15)17-14-9-25(12-4-2-1-3-5-12)24-18(14)22-10-21-17/h6-10,12,16H,1-5H2,(H,23,26)
InChIKeyXXDKGGWSUWBKTP-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.55
Rot. Bonds2

About 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one

3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 24880057) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID24880057
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1ncnc2nn(C3CCCCC3)cc12
InChIInChI=1S/C19H18FN5O/c20-11-6-7-15-13(8-11)16(19(26)23-15)17-14-9-25(12-4-2-1-3-5-12)24-18(14)22-10-21-17/h6-10,12,16H,1-5H2,(H,23,26)
InChIKeyXXDKGGWSUWBKTP-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one 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 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one (CID 24880057) is 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1c1ncnc2nn(C3CCCCC3)cc12.
What is the InChIKey of 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is XXDKGGWSUWBKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-11-6-7-15-13(8-11)16(19(26)23-15)17-14-9-25(12-4-2-1-3-5-12)24-18(14)22-10-21-17/h6-10,12,16H,1-5H2,(H,23,26).
What are the key properties of 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 351.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 24880057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).