4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine

C25H20Cl3N5 — CID 175342188

IUPAC4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESClc1ccc(-c2cc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C25H20Cl3N5/c26-19-5-3-17(4-6-19)23-15-24(31-25(30-23)18-2-1-7-29-16-18)33-10-8-32(9-11-33)22-13-20(27)12-21(28)14-22/h1-7,12-16H,8-11H2
InChIKeyFWCXLUIFDQNNBG-UHFFFAOYSA-N
MW496.83 g/mol
LogP6.49
Rot. Bonds4

About 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine

4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine (PubChem CID 175342188) has the molecular formula C25H20Cl3N5 and a molecular weight of 496.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
PubChem CID175342188
Molecular FormulaC25H20Cl3N5
Molecular Weight496.83 g/mol
Exact Mass495.08
IUPAC Name4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESClc1ccc(-c2cc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C25H20Cl3N5/c26-19-5-3-17(4-6-19)23-15-24(31-25(30-23)18-2-1-7-29-16-18)33-10-8-32(9-11-33)22-13-20(27)12-21(28)14-22/h1-7,12-16H,8-11H2
InChIKeyFWCXLUIFDQNNBG-UHFFFAOYSA-N
XLogP6.49
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.83
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 175823757
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 156865958
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]azepan-3-ol
CID 156865963
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl] butanoate
CID 175342086
[(3S,4S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-3-fluoropiperidin-4-yl]methanol
CID 156866281
4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine
CID 5233564
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 156865969
4-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 156866041

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine (CID 175342188) is 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine is Clc1ccc(-c2cc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
The InChIKey is FWCXLUIFDQNNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N5/c26-19-5-3-17(4-6-19)23-15-24(31-25(30-23)18-2-1-7-29-16-18)33-10-8-32(9-11-33)22-13-20(27)12-21(28)14-22/h1-7,12-16H,8-11H2.
What are the key properties of 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine has a molecular weight of 496.83 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 175342188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).