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

C24H24N4O — CID 25207583

IUPAC4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C24H24N4O/c29-24-17-20(19-6-2-1-3-7-19)10-13-27(24)22-8-9-23-21(16-22)18-25-28(23)15-14-26-11-4-5-12-26/h1-3,6-10,13,16-18H,4-5,11-12,14-15H2
InChIKeyJQBMDYHAADFKSN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.95
Rot. Bonds5

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

4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25207583) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25207583
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C24H24N4O/c29-24-17-20(19-6-2-1-3-7-19)10-13-27(24)22-8-9-23-21(16-22)18-25-28(23)15-14-26-11-4-5-12-26/h1-3,6-10,13,16-18H,4-5,11-12,14-15H2
InChIKeyJQBMDYHAADFKSN-UHFFFAOYSA-N
XLogP3.95
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25207583) is 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(-c2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is JQBMDYHAADFKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24-17-20(19-6-2-1-3-7-19)10-13-27(24)22-8-9-23-21(16-22)18-25-28(23)15-14-26-11-4-5-12-26/h1-3,6-10,13,16-18H,4-5,11-12,14-15H2.
What are the key properties of 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 384.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25207583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).