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

C19H12FN5O — CID 67269394

IUPAC5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1ncnc2nn(-c3ccccc3)cc12
InChIInChI=1S/C19H12FN5O/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/h1-10,16H,(H,23,26)
InChIKeyDDJGKWLHFXNGLZ-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.04
Rot. Bonds2

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

5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 67269394) has the molecular formula C19H12FN5O and a molecular weight of 345.34 g/mol. Its IUPAC name is 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one
PubChem CID67269394
Molecular FormulaC19H12FN5O
Molecular Weight345.34 g/mol
Exact Mass345.10
IUPAC Name5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1ncnc2nn(-c3ccccc3)cc12
InChIInChI=1S/C19H12FN5O/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/h1-10,16H,(H,23,26)
InChIKeyDDJGKWLHFXNGLZ-UHFFFAOYSA-N
XLogP3.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one (CID 67269394) is 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1c1ncnc2nn(-c3ccccc3)cc12.
What is the InChIKey of 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is DDJGKWLHFXNGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O/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/h1-10,16H,(H,23,26).
What are the key properties of 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 345.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 67269394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).