4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C26H25FN4O — CID 59293396

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H25FN4O/c27-23-7-5-20(6-8-23)3-4-21-11-14-30(26(32)17-21)24-9-10-25-22(18-24)19-28-31(25)16-15-29-12-1-2-13-29/h3-11,14,17-19H,1-2,12-13,15-16H2/b4-3+
InChIKeyNATYDUBIWAOKJG-ONEGZZNKSA-N
MW428.51 g/mol
LogP4.59
Rot. Bonds6

About 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 59293396) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID59293396
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H25FN4O/c27-23-7-5-20(6-8-23)3-4-21-11-14-30(26(32)17-21)24-9-10-25-22(18-24)19-28-31(25)16-15-29-12-1-2-13-29/h3-11,14,17-19H,1-2,12-13,15-16H2/b4-3+
InChIKeyNATYDUBIWAOKJG-ONEGZZNKSA-N
XLogP4.59
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 59293396) is 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(/C=C/c2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is NATYDUBIWAOKJG-ONEGZZNKSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-23-7-5-20(6-8-23)3-4-21-11-14-30(26(32)17-21)24-9-10-25-22(18-24)19-28-31(25)16-15-29-12-1-2-13-29/h3-11,14,17-19H,1-2,12-13,15-16H2/b4-3+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 428.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 59293396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).