N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine

C21H25Cl2N5 — CID 56597365

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
SMILESClc1cccc(N2CCN(CCCCNc3ccc4cn[nH]c4c3)CC2)c1Cl
InChIInChI=1S/C21H25Cl2N5/c22-18-4-3-5-20(21(18)23)28-12-10-27(11-13-28)9-2-1-8-24-17-7-6-16-15-25-26-19(16)14-17/h3-7,14-15,24H,1-2,8-13H2,(H,25,26)
InChIKeyMUZUJTOLDGGAMM-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.88
Rot. Bonds7

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine (PubChem CID 56597365) has the molecular formula C21H25Cl2N5 and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
PubChem CID56597365
Molecular FormulaC21H25Cl2N5
Molecular Weight418.37 g/mol
Exact Mass417.15
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
SMILESClc1cccc(N2CCN(CCCCNc3ccc4cn[nH]c4c3)CC2)c1Cl
InChIInChI=1S/C21H25Cl2N5/c22-18-4-3-5-20(21(18)23)28-12-10-27(11-13-28)9-2-1-8-24-17-7-6-16-15-25-26-19(16)14-17/h3-7,14-15,24H,1-2,8-13H2,(H,25,26)
InChIKeyMUZUJTOLDGGAMM-UHFFFAOYSA-N
XLogP4.88
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597366
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
CID 11511026
N-[4-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]butyl]-1,3-benzothiazol-5-amine
CID 56598875
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202834
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
4-(4-benzylpiperazin-1-yl)-N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 119110136
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine
CID 43743379

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine (CID 56597365) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine is Clc1cccc(N2CCN(CCCCNc3ccc4cn[nH]c4c3)CC2)c1Cl.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine?
The InChIKey is MUZUJTOLDGGAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5/c22-18-4-3-5-20(21(18)23)28-12-10-27(11-13-28)9-2-1-8-24-17-7-6-16-15-25-26-19(16)14-17/h3-7,14-15,24H,1-2,8-13H2,(H,25,26).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine has a molecular weight of 418.37 g/mol, XLogP of 4.88, 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-indazol-6-amine is sourced from PubChem (CID 56597365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).