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

C26H27FN4O2 — CID 25054548

IUPAC1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)CC2)c1
InChIInChI=1S/C26H27FN4O2/c27-22-8-11-29(12-9-22)14-15-31-25-7-6-23(16-21(25)18-28-31)30-13-10-24(17-26(30)32)33-19-20-4-2-1-3-5-20/h1-7,10,13,16-18,22H,8-9,11-12,14-15,19H2
InChIKeySREUSZSUCUXGIV-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.20
Rot. Bonds7

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

1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25054548) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25054548
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)CC2)c1
InChIInChI=1S/C26H27FN4O2/c27-22-8-11-29(12-9-22)14-15-31-25-7-6-23(16-21(25)18-28-31)30-13-10-24(17-26(30)32)33-19-20-4-2-1-3-5-20/h1-7,10,13,16-18,22H,8-9,11-12,14-15,19H2
InChIKeySREUSZSUCUXGIV-UHFFFAOYSA-N
XLogP4.20
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.20
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-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25054548) is 1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)CC2)c1.
What is the InChIKey of 1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is SREUSZSUCUXGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-22-8-11-29(12-9-22)14-15-31-25-7-6-23(16-21(25)18-28-31)30-13-10-24(17-26(30)32)33-19-20-4-2-1-3-5-20/h1-7,10,13,16-18,22H,8-9,11-12,14-15,19H2.
What are the key properties of 1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-(4-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 446.53 g/mol, XLogP of 4.20, 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-fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25054548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).