6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole

C20H22Cl2N4O — CID 56597939

IUPAC6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole
SMILESClc1cccc(N2CCN(CCCOc3ccc4cn[nH]c4c3)CC2)c1Cl
InChIInChI=1S/C20H22Cl2N4O/c21-17-3-1-4-19(20(17)22)26-10-8-25(9-11-26)7-2-12-27-16-6-5-15-14-23-24-18(15)13-16/h1,3-6,13-14H,2,7-12H2,(H,23,24)
InChIKeyWOXYKTMEOIXZAQ-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.46
Rot. Bonds6

About 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole

6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole (PubChem CID 56597939) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole.

Molecular Properties

Compound Name6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole
PubChem CID56597939
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole
SMILESClc1cccc(N2CCN(CCCOc3ccc4cn[nH]c4c3)CC2)c1Cl
InChIInChI=1S/C20H22Cl2N4O/c21-17-3-1-4-19(20(17)22)26-10-8-25(9-11-26)7-2-12-27-16-6-5-15-14-23-24-18(15)13-16/h1,3-6,13-14H,2,7-12H2,(H,23,24)
InChIKeyWOXYKTMEOIXZAQ-UHFFFAOYSA-N
XLogP4.46
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole?
The IUPAC name of 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole (CID 56597939) is 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole.
What is the SMILES notation for 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole?
The canonical SMILES for 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole is Clc1cccc(N2CCN(CCCOc3ccc4cn[nH]c4c3)CC2)c1Cl.
What is the InChIKey of 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole?
The InChIKey is WOXYKTMEOIXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c21-17-3-1-4-19(20(17)22)26-10-8-25(9-11-26)7-2-12-27-16-6-5-15-14-23-24-18(15)13-16/h1,3-6,13-14H,2,7-12H2,(H,23,24).
What are the key properties of 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole?
6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole has a molecular weight of 405.33 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole is sourced from PubChem (CID 56597939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).