1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine

C24H24BrCl2N3 — CID 68850865

IUPAC1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CN1CCN(C)CC1
InChIInChI=1S/C24H24BrCl2N3/c1-16-13-21(20-8-7-19(26)14-22(20)27)24(17-3-5-18(25)6-4-17)28-23(16)15-30-11-9-29(2)10-12-30/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyWPUQYJWABWHKIV-UHFFFAOYSA-N
MW505.29 g/mol
LogP6.54
Rot. Bonds4

About 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine

1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine (PubChem CID 68850865) has the molecular formula C24H24BrCl2N3 and a molecular weight of 505.29 g/mol. Its IUPAC name is 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine
PubChem CID68850865
Molecular FormulaC24H24BrCl2N3
Molecular Weight505.29 g/mol
Exact Mass503.05
IUPAC Name1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CN1CCN(C)CC1
InChIInChI=1S/C24H24BrCl2N3/c1-16-13-21(20-8-7-19(26)14-22(20)27)24(17-3-5-18(25)6-4-17)28-23(16)15-30-11-9-29(2)10-12-30/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyWPUQYJWABWHKIV-UHFFFAOYSA-N
XLogP6.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.29
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine (CID 68850865) is 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine is Cc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CN1CCN(C)CC1.
What is the InChIKey of 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine?
The InChIKey is WPUQYJWABWHKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrCl2N3/c1-16-13-21(20-8-7-19(26)14-22(20)27)24(17-3-5-18(25)6-4-17)28-23(16)15-30-11-9-29(2)10-12-30/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine?
1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine has a molecular weight of 505.29 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 68850865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).