6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine

C21H23ClN6O2S — CID 122347043

IUPAC6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)nn2)c1
InChIInChI=1S/C21H23ClN6O2S/c1-16-7-8-23-20(13-16)24-19-5-6-21(26-25-19)27-9-11-28(12-10-27)31(29,30)15-17-3-2-4-18(22)14-17/h2-8,13-14H,9-12,15H2,1H3,(H,23,24,25)
InChIKeyITYVDOPDBKCQIU-UHFFFAOYSA-N
MW458.98 g/mol
LogP3.23
Rot. Bonds6

About 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine

6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine (PubChem CID 122347043) has the molecular formula C21H23ClN6O2S and a molecular weight of 458.98 g/mol. Its IUPAC name is 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
PubChem CID122347043
Molecular FormulaC21H23ClN6O2S
Molecular Weight458.98 g/mol
Exact Mass458.13
IUPAC Name6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)nn2)c1
InChIInChI=1S/C21H23ClN6O2S/c1-16-7-8-23-20(13-16)24-19-5-6-21(26-25-19)27-9-11-28(12-10-27)31(29,30)15-17-3-2-4-18(22)14-17/h2-8,13-14H,9-12,15H2,1H3,(H,23,24,25)
InChIKeyITYVDOPDBKCQIU-UHFFFAOYSA-N
XLogP3.23
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.98
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121064712
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347255
6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347534
1-[6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335072
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122350473
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 121064749
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122347042
3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122351435
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349652
(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064735
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine (CID 122347043) is 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine is Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)nn2)c1.
What is the InChIKey of 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is ITYVDOPDBKCQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2S/c1-16-7-8-23-20(13-16)24-19-5-6-21(26-25-19)27-9-11-28(12-10-27)31(29,30)15-17-3-2-4-18(22)14-17/h2-8,13-14H,9-12,15H2,1H3,(H,23,24,25).
What are the key properties of 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 458.98 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 122347043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).