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

C24H19FN6O2 — CID 122656228

IUPAC5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1CN(c2nccc3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nn23)CCN1
InChIInChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)23-22(15-3-6-18-16(11-15)12-20(32)28-18)19-7-8-27-24(31(19)29-23)30-10-9-26-21(33)13-30/h1-8,11H,9-10,12-13H2,(H,26,33)(H,28,32)
InChIKeyCBXDLBNUJHIYRZ-UHFFFAOYSA-N
MW442.45 g/mol
LogP2.63
Rot. Bonds3

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

5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656228) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656228
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1CN(c2nccc3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nn23)CCN1
InChIInChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)23-22(15-3-6-18-16(11-15)12-20(32)28-18)19-7-8-27-24(31(19)29-23)30-10-9-26-21(33)13-30/h1-8,11H,9-10,12-13H2,(H,26,33)(H,28,32)
InChIKeyCBXDLBNUJHIYRZ-UHFFFAOYSA-N
XLogP2.63
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Capmatinib
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Lorecivivint
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5-[2-(4-Fluorophenyl)-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
CID 122656119
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
US10513523, Example 74
CID 122655984
US10513523, Example 164
CID 122656013
US10513523, Example 12
CID 122656023
US10513523, Example 32
CID 122656068
US10513523, Example 172
CID 122656081
US10513523, Example 190
CID 122656171

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (CID 122656228) is 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is O=C1CN(c2nccc3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nn23)CCN1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is CBXDLBNUJHIYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)23-22(15-3-6-18-16(11-15)12-20(32)28-18)19-7-8-27-24(31(19)29-23)30-10-9-26-21(33)13-30/h1-8,11H,9-10,12-13H2,(H,26,33)(H,28,32).
What are the key properties of 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 442.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-7-(3-oxopiperazin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).