5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

C26H23FN6O2 — CID 122656081

IUPAC5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(=O)N1CCN(c2nccc3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nn23)CC1
InChIInChI=1S/C26H23FN6O2/c1-16(34)31-10-12-32(13-11-31)26-28-9-8-22-24(18-4-7-21-19(14-18)15-23(35)29-21)25(30-33(22)26)17-2-5-20(27)6-3-17/h2-9,14H,10-13,15H2,1H3,(H,29,35)
InChIKeyUERCDXIHPYCAMF-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.37
Rot. Bonds3

About 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656081) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656081
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(=O)N1CCN(c2nccc3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nn23)CC1
InChIInChI=1S/C26H23FN6O2/c1-16(34)31-10-12-32(13-11-31)26-28-9-8-22-24(18-4-7-21-19(14-18)15-23(35)29-21)25(30-33(22)26)17-2-5-20(27)6-3-17/h2-9,14H,10-13,15H2,1H3,(H,29,35)
InChIKeyUERCDXIHPYCAMF-UHFFFAOYSA-N
XLogP3.37
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (CID 122656081) is 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is CC(=O)N1CCN(c2nccc3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nn23)CC1.
What is the InChIKey of 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is UERCDXIHPYCAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-16(34)31-10-12-32(13-11-31)26-28-9-8-22-24(18-4-7-21-19(14-18)15-23(35)29-21)25(30-33(22)26)17-2-5-20(27)6-3-17/h2-9,14H,10-13,15H2,1H3,(H,29,35).
What are the key properties of 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 470.51 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).