4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one

C25H27N5O2 — CID 25056872

IUPAC4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCNCC2)c1
InChIInChI=1S/C25H27N5O2/c31-25-17-23(32-19-20-4-2-1-3-5-20)8-11-29(25)22-6-7-24-21(16-22)18-27-30(24)15-14-28-12-9-26-10-13-28/h1-8,11,16-18,26H,9-10,12-15,19H2
InChIKeyQQZPUNRRFIGWLK-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.67
Rot. Bonds7

About 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25056872) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25056872
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCNCC2)c1
InChIInChI=1S/C25H27N5O2/c31-25-17-23(32-19-20-4-2-1-3-5-20)8-11-29(25)22-6-7-24-21(16-22)18-27-30(24)15-14-28-12-9-26-10-13-28/h1-8,11,16-18,26H,9-10,12-15,19H2
InChIKeyQQZPUNRRFIGWLK-UHFFFAOYSA-N
XLogP2.67
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25056872) is 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCNCC2)c1.
What is the InChIKey of 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is QQZPUNRRFIGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-25-17-23(32-19-20-4-2-1-3-5-20)8-11-29(25)22-6-7-24-21(16-22)18-27-30(24)15-14-28-12-9-26-10-13-28/h1-8,11,16-18,26H,9-10,12-15,19H2.
What are the key properties of 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 429.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[1-(2-piperazin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25056872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).