1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C26H26F2N4O2 — CID 25054011

IUPAC1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C26H26F2N4O2/c27-26(28)9-12-30(13-10-26)14-15-32-24-7-6-22(16-21(24)18-29-32)31-11-8-23(17-25(31)33)34-19-20-4-2-1-3-5-20/h1-8,11,16-18H,9-10,12-15,19H2
InChIKeyGCJMHKAUUNWTKU-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.50
Rot. Bonds7

About 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25054011) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25054011
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C26H26F2N4O2/c27-26(28)9-12-30(13-10-26)14-15-32-24-7-6-22(16-21(24)18-29-32)31-11-8-23(17-25(31)33)34-19-20-4-2-1-3-5-20/h1-8,11,16-18H,9-10,12-15,19H2
InChIKeyGCJMHKAUUNWTKU-UHFFFAOYSA-N
XLogP4.50
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25054011) is 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is GCJMHKAUUNWTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c27-26(28)9-12-30(13-10-26)14-15-32-24-7-6-22(16-21(24)18-29-32)31-11-8-23(17-25(31)33)34-19-20-4-2-1-3-5-20/h1-8,11,16-18H,9-10,12-15,19H2.
What are the key properties of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 464.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25054011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).