N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide

C22H25Cl2N5O — CID 11123162

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H25Cl2N5O/c23-17-7-5-9-19(20(17)24)29-14-12-28(13-15-29)11-4-3-10-25-22(30)21-16-6-1-2-8-18(16)26-27-21/h1-2,5-9H,3-4,10-15H2,(H,25,30)(H,26,27)
InChIKeyUXCGLFHPAUUQAA-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.20
Rot. Bonds7

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide (PubChem CID 11123162) has the molecular formula C22H25Cl2N5O and a molecular weight of 446.38 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
PubChem CID11123162
Molecular FormulaC22H25Cl2N5O
Molecular Weight446.38 g/mol
Exact Mass445.14
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H25Cl2N5O/c23-17-7-5-9-19(20(17)24)29-14-12-28(13-15-29)11-4-3-10-25-22(30)21-16-6-1-2-8-18(16)26-27-21/h1-2,5-9H,3-4,10-15H2,(H,25,30)(H,26,27)
InChIKeyUXCGLFHPAUUQAA-UHFFFAOYSA-N
XLogP4.20
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide 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-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indazole-3-carboxamide
CID 11191030
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10456166
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-1H-indole-2-carboxamide
CID 42626103
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-5-fluoro-1H-indole-2-carboxamide
CID 44309876
N-[[(1R,2R)-2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
CID 137650746
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide;hydrochloride
CID 145990000
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(2-dimethylamino-ethyl)-benzamide
CID 10151272
4-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 10310219
1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-2-(3-chlorophenyl)ethanone
CID 16662116
7-Chloro-1-(2,4-dichloro-phenyl)-1H-indazole-3-carboxylic acid piperidin-1-ylamide
CID 44282188

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide (CID 11123162) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide is O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide?
The InChIKey is UXCGLFHPAUUQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O/c23-17-7-5-9-19(20(17)24)29-14-12-28(13-15-29)11-4-3-10-25-22(30)21-16-6-1-2-8-18(16)26-27-21/h1-2,5-9H,3-4,10-15H2,(H,25,30)(H,26,27).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide has a molecular weight of 446.38 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 11123162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).