3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole

C20H23ClN4O — CID 56898962

IUPAC3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
SMILESCOc1ccc2n[nH]c(CN3CCN(Cc4cccc(Cl)c4)CC3)c2c1
InChIInChI=1S/C20H23ClN4O/c1-26-17-5-6-19-18(12-17)20(23-22-19)14-25-9-7-24(8-10-25)13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,23)
InChIKeyNMTDCSVPLLXMLD-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.54
Rot. Bonds5

About 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole

3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole (PubChem CID 56898962) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole.

Molecular Properties

Compound Name3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
PubChem CID56898962
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
SMILESCOc1ccc2n[nH]c(CN3CCN(Cc4cccc(Cl)c4)CC3)c2c1
InChIInChI=1S/C20H23ClN4O/c1-26-17-5-6-19-18(12-17)20(23-22-19)14-25-9-7-24(8-10-25)13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,23)
InChIKeyNMTDCSVPLLXMLD-UHFFFAOYSA-N
XLogP3.54
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole 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

1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole
CID 70716523
(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 95885516
1-[(3-chlorophenyl)methyl]-4-(4-methoxy-2-methylphenyl)sulfonylpiperazine
CID 110399108
2-ethyl-8-[(5-methoxy-2H-indazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70719515
5-methoxy-3-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-2H-indazole
CID 56895863
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
1-[(Z)-3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 70419015
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole?
The IUPAC name of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole (CID 56898962) is 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole.
What is the SMILES notation for 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole?
The canonical SMILES for 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole is COc1ccc2n[nH]c(CN3CCN(Cc4cccc(Cl)c4)CC3)c2c1.
What is the InChIKey of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole?
The InChIKey is NMTDCSVPLLXMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-26-17-5-6-19-18(12-17)20(23-22-19)14-25-9-7-24(8-10-25)13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,23).
What are the key properties of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole?
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole has a molecular weight of 370.88 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole is sourced from PubChem (CID 56898962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).