N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

C22H23F2N5O — CID 69286407

IUPACN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)CC1
InChIInChI=1S/C22H23F2N5O/c1-28-8-10-29(11-9-28)14-22(30)25-21-12-17-19(26-27-20(17)13-18(21)24)7-4-15-2-5-16(23)6-3-15/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)(H,26,27)
InChIKeyKNYXUFGDZIAOKL-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.20
Rot. Bonds5

About N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 69286407) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID69286407
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)CC1
InChIInChI=1S/C22H23F2N5O/c1-28-8-10-29(11-9-28)14-22(30)25-21-12-17-19(26-27-20(17)13-18(21)24)7-4-15-2-5-16(23)6-3-15/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)(H,26,27)
InChIKeyKNYXUFGDZIAOKL-UHFFFAOYSA-N
XLogP3.20
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide
CID 158340656
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 72628181
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide
CID 59797007
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
1-N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-methylbutane-1,2-diamine
CID 68932693
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide
CID 161064204
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 72628024
N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 160663485
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 59797224
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
2-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 67090329

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 69286407) is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)CC1.
What is the InChIKey of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KNYXUFGDZIAOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-28-8-10-29(11-9-28)14-22(30)25-21-12-17-19(26-27-20(17)13-18(21)24)7-4-15-2-5-16(23)6-3-15/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 69286407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).