1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine

C16H19ClN4O2S — CID 67509229

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine
SMILESCc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl
InChIInChI=1S/C16H19ClN4O2S/c1-12-4-3-5-18-16(12)13-10-15(19-11-14(13)17)20-6-8-21(9-7-20)24(2,22)23/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFFCMYOJLTXOKRM-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.19
Rot. Bonds3

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine (PubChem CID 67509229) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine
PubChem CID67509229
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine
SMILESCc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl
InChIInChI=1S/C16H19ClN4O2S/c1-12-4-3-5-18-16(12)13-10-15(19-11-14(13)17)20-6-8-21(9-7-20)24(2,22)23/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFFCMYOJLTXOKRM-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine 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 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine (CID 67509229) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine is Cc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
The InChIKey is FFCMYOJLTXOKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-12-4-3-5-18-16(12)13-10-15(19-11-14(13)17)20-6-8-21(9-7-20)24(2,22)23/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine has a molecular weight of 366.87 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 67509229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).