5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

C25H22FN5O — CID 122655838

IUPAC5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nn4c(N5CCC(F)CC5)nccc34)ccc2N1
InChIInChI=1S/C25H22FN5O/c26-19-9-12-30(13-10-19)25-27-11-8-21-23(17-6-7-20-18(14-17)15-22(32)28-20)24(29-31(21)25)16-4-2-1-3-5-16/h1-8,11,14,19H,9-10,12-13,15H2,(H,28,32)
InChIKeyOVFIFQQRSPQDCK-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.50
Rot. Bonds3

About 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122655838) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122655838
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nn4c(N5CCC(F)CC5)nccc34)ccc2N1
InChIInChI=1S/C25H22FN5O/c26-19-9-12-30(13-10-19)25-27-11-8-21-23(17-6-7-20-18(14-17)15-22(32)28-20)24(29-31(21)25)16-4-2-1-3-5-16/h1-8,11,14,19H,9-10,12-13,15H2,(H,28,32)
InChIKeyOVFIFQQRSPQDCK-UHFFFAOYSA-N
XLogP4.50
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (CID 122655838) is 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccccc4)nn4c(N5CCC(F)CC5)nccc34)ccc2N1.
What is the InChIKey of 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is OVFIFQQRSPQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c26-19-9-12-30(13-10-19)25-27-11-8-21-23(17-6-7-20-18(14-17)15-22(32)28-20)24(29-31(21)25)16-4-2-1-3-5-16/h1-8,11,14,19H,9-10,12-13,15H2,(H,28,32).
What are the key properties of 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 427.48 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-fluoropiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).