5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one

C18H20Cl2N4O2 — CID 133342273

IUPAC5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESCC(C)(C)N1CC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1=O
InChIInChI=1S/C18H20Cl2N4O2/c1-18(2,3)23-10-12(8-15(23)25)22-14-9-21-24(17(26)16(14)20)13-6-4-11(19)5-7-13/h4-7,9,12,22H,8,10H2,1-3H3
InChIKeyWZZSLZNEGMTIHZ-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.35
Rot. Bonds3

About 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one

5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 133342273) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID133342273
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESCC(C)(C)N1CC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1=O
InChIInChI=1S/C18H20Cl2N4O2/c1-18(2,3)23-10-12(8-15(23)25)22-14-9-21-24(17(26)16(14)20)13-6-4-11(19)5-7-13/h4-7,9,12,22H,8,10H2,1-3H3
InChIKeyWZZSLZNEGMTIHZ-UHFFFAOYSA-N
XLogP3.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one
CID 133342336
methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate
CID 133275627
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
CID 133324274
5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 60502796
4-chloro-2-(4-chlorophenyl)-5-[[(3S)-oxolan-3-yl]methylamino]pyridazin-3-one
CID 94415319
1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
CID 133342299
4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323547
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
4-chloro-2-(4-chlorophenyl)-5-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133306790
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 99804901
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925

Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one (CID 133342273) is 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one is CC(C)(C)N1CC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1=O.
What is the InChIKey of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is WZZSLZNEGMTIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-18(2,3)23-10-12(8-15(23)25)22-14-9-21-24(17(26)16(14)20)13-6-4-11(19)5-7-13/h4-7,9,12,22H,8,10H2,1-3H3.
What are the key properties of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 395.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 133342273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).