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

C26H27FN4O — CID 25055554

IUPAC4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(CCc2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H27FN4O/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/h5-11,14,17-19H,1-4,12-13,15-16H2
InChIKeyJFTRODNYAPFCBH-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.21
Rot. Bonds7

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

4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25055554) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25055554
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(CCc2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H27FN4O/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/h5-11,14,17-19H,1-4,12-13,15-16H2
InChIKeyJFTRODNYAPFCBH-UHFFFAOYSA-N
XLogP4.21
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25055554) is 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(CCc2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is JFTRODNYAPFCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/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/h5-11,14,17-19H,1-4,12-13,15-16H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 430.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25055554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).