2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone

C21H21ClFN3O — CID 22376909

IUPAC2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
SMILESCCn1nc(N2CCC(CC(=O)c3ccc(F)cc3)C2)c2cc(Cl)ccc21
InChIInChI=1S/C21H21ClFN3O/c1-2-26-19-8-5-16(22)12-18(19)21(24-26)25-10-9-14(13-25)11-20(27)15-3-6-17(23)7-4-15/h3-8,12,14H,2,9-11,13H2,1H3
InChIKeyZWSSQDFPNYVLDQ-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.95
Rot. Bonds5

About 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone

2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 22376909) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
PubChem CID22376909
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
SMILESCCn1nc(N2CCC(CC(=O)c3ccc(F)cc3)C2)c2cc(Cl)ccc21
InChIInChI=1S/C21H21ClFN3O/c1-2-26-19-8-5-16(22)12-18(19)21(24-26)25-10-9-14(13-25)11-20(27)15-3-6-17(23)7-4-15/h3-8,12,14H,2,9-11,13H2,1H3
InChIKeyZWSSQDFPNYVLDQ-UHFFFAOYSA-N
XLogP4.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone 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 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone (CID 22376909) is 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone is CCn1nc(N2CCC(CC(=O)c3ccc(F)cc3)C2)c2cc(Cl)ccc21.
What is the InChIKey of 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is ZWSSQDFPNYVLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c1-2-26-19-8-5-16(22)12-18(19)21(24-26)25-10-9-14(13-25)11-20(27)15-3-6-17(23)7-4-15/h3-8,12,14H,2,9-11,13H2,1H3.
What are the key properties of 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 385.87 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1-ethylindazol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 22376909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).