(6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

C21H21BrF2N4O — CID 24938199

IUPAC(6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(CCc3ccc(F)cc3F)CC2)c2ccc(Br)cc21
InChIInChI=1S/C21H21BrF2N4O/c1-26-19-12-15(22)3-5-17(19)20(25-26)21(29)28-10-8-27(9-11-28)7-6-14-2-4-16(23)13-18(14)24/h2-5,12-13H,6-11H2,1H3
InChIKeyFFUXPYDYOZSIFV-UHFFFAOYSA-N
MW463.33 g/mol
LogP3.61
Rot. Bonds4

About (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

(6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 24938199) has the molecular formula C21H21BrF2N4O and a molecular weight of 463.33 g/mol. Its IUPAC name is (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID24938199
Molecular FormulaC21H21BrF2N4O
Molecular Weight463.33 g/mol
Exact Mass462.09
IUPAC Name(6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(CCc3ccc(F)cc3F)CC2)c2ccc(Br)cc21
InChIInChI=1S/C21H21BrF2N4O/c1-26-19-12-15(22)3-5-17(19)20(25-26)21(29)28-10-8-27(9-11-28)7-6-14-2-4-16(23)13-18(14)24/h2-5,12-13H,6-11H2,1H3
InChIKeyFFUXPYDYOZSIFV-UHFFFAOYSA-N
XLogP3.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone 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 (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (CID 24938199) is (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is Cn1nc(C(=O)N2CCN(CCc3ccc(F)cc3F)CC2)c2ccc(Br)cc21.
What is the InChIKey of (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is FFUXPYDYOZSIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrF2N4O/c1-26-19-12-15(22)3-5-17(19)20(25-26)21(29)28-10-8-27(9-11-28)7-6-14-2-4-16(23)13-18(14)24/h2-5,12-13H,6-11H2,1H3.
What are the key properties of (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
(6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 463.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).