(5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C20H20ClFN6O2 — CID 30858009

IUPAC(5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C20H20ClFN6O2/c1-30-18-6-5-14(21)11-17(18)20(29)27-9-7-26(8-10-27)13-19-23-24-25-28(19)16-4-2-3-15(22)12-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyKPCVSZYNJOXPMR-UHFFFAOYSA-N
MW430.87 g/mol
LogP2.42
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 30858009) has the molecular formula C20H20ClFN6O2 and a molecular weight of 430.87 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID30858009
Molecular FormulaC20H20ClFN6O2
Molecular Weight430.87 g/mol
Exact Mass430.13
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C20H20ClFN6O2/c1-30-18-6-5-14(21)11-17(18)20(29)27-9-7-26(8-10-27)13-19-23-24-25-28(19)16-4-2-3-15(22)12-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyKPCVSZYNJOXPMR-UHFFFAOYSA-N
XLogP2.42
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 30858009) is (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is KPCVSZYNJOXPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O2/c1-30-18-6-5-14(21)11-17(18)20(29)27-9-7-26(8-10-27)13-19-23-24-25-28(19)16-4-2-3-15(22)12-16/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 430.87 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30858009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).