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

C26H28N4O2 — CID 25057384

IUPAC4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCC(Oc1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1)c1ccccc1
InChIInChI=1S/C26H28N4O2/c1-20(21-7-3-2-4-8-21)32-24-11-14-29(26(31)18-24)23-9-10-25-22(17-23)19-27-30(25)16-15-28-12-5-6-13-28/h2-4,7-11,14,17-20H,5-6,12-13,15-16H2,1H3
InChIKeySMPVAEVXEMQCDT-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.42
Rot. Bonds7

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

4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25057384) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25057384
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCC(Oc1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1)c1ccccc1
InChIInChI=1S/C26H28N4O2/c1-20(21-7-3-2-4-8-21)32-24-11-14-29(26(31)18-24)23-9-10-25-22(17-23)19-27-30(25)16-15-28-12-5-6-13-28/h2-4,7-11,14,17-20H,5-6,12-13,15-16H2,1H3
InChIKeySMPVAEVXEMQCDT-UHFFFAOYSA-N
XLogP4.42
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25057384) is 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is CC(Oc1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1)c1ccccc1.
What is the InChIKey of 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is SMPVAEVXEMQCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-20(21-7-3-2-4-8-21)32-24-11-14-29(26(31)18-24)23-9-10-25-22(17-23)19-27-30(25)16-15-28-12-5-6-13-28/h2-4,7-11,14,17-20H,5-6,12-13,15-16H2,1H3.
What are the key properties of 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 428.54 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25057384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).