(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone

C22H20Cl2N4O2 — CID 108729933

IUPAC(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H20Cl2N4O2/c1-30-21-17(24)8-7-16(23)20(21)22(29)28-13-11-27(12-14-28)19-10-9-18(25-26-19)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyOCOSFCNQDKNDIE-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.42
Rot. Bonds4

About (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone

(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 108729933) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID108729933
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H20Cl2N4O2/c1-30-21-17(24)8-7-16(23)20(21)22(29)28-13-11-27(12-14-28)19-10-9-18(25-26-19)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyOCOSFCNQDKNDIE-UHFFFAOYSA-N
XLogP4.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328475
1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060205
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 108730014
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 42110700

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone (CID 108729933) is (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is OCOSFCNQDKNDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c1-30-21-17(24)8-7-16(23)20(21)22(29)28-13-11-27(12-14-28)19-10-9-18(25-26-19)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3.
What are the key properties of (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone?
(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 443.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108729933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).