[6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C22H18Cl3N3O2 — CID 142720954

IUPAC[6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(O[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1)N1CCCC1
InChIInChI=1S/C22H18Cl3N3O2/c23-15-5-3-14(4-6-15)21(17-8-7-16(24)13-18(17)25)30-20-10-9-19(26-27-20)22(29)28-11-1-2-12-28/h3-10,13,21H,1-2,11-12H2/t21-/m0/s1
InChIKeyMTMLBCCLJXBJNJ-NRFANRHFSA-N
MW462.76 g/mol
LogP5.84
Rot. Bonds5

About [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142720954) has the molecular formula C22H18Cl3N3O2 and a molecular weight of 462.76 g/mol. Its IUPAC name is [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID142720954
Molecular FormulaC22H18Cl3N3O2
Molecular Weight462.76 g/mol
Exact Mass461.05
IUPAC Name[6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(O[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1)N1CCCC1
InChIInChI=1S/C22H18Cl3N3O2/c23-15-5-3-14(4-6-15)21(17-8-7-16(24)13-18(17)25)30-20-10-9-19(26-27-20)22(29)28-11-1-2-12-28/h3-10,13,21H,1-2,11-12H2/t21-/m0/s1
InChIKeyMTMLBCCLJXBJNJ-NRFANRHFSA-N
XLogP5.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.76
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

5-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 142720957
6-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridin-3-amine
CID 142720961
azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
CID 71867029
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119827
methyl (2S)-1-[4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzoyl]pyrrolidine-2-carboxylate
CID 70811119
azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
CID 113200325
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 122152431
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996

Frequently Asked Questions

What is the IUPAC name of [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 142720954) is [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(O[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1)N1CCCC1.
What is the InChIKey of [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MTMLBCCLJXBJNJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18Cl3N3O2/c23-15-5-3-14(4-6-15)21(17-8-7-16(24)13-18(17)25)30-20-10-9-19(26-27-20)22(29)28-11-1-2-12-28/h3-10,13,21H,1-2,11-12H2/t21-/m0/s1.
What are the key properties of [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 462.76 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(S)-(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142720954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).