4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one

C21H19ClN4O2 — CID 133354000

IUPAC4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
SMILESCc1ccc(N2CCC(Nc3cnn(-c4ccccc4)c(=O)c3Cl)C2=O)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14-7-9-15(10-8-14)25-12-11-17(20(25)27)24-18-13-23-26(21(28)19(18)22)16-5-3-2-4-6-16/h2-10,13,17,24H,11-12H2,1H3
InChIKeyWXVORXGPLISALP-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.41
Rot. Bonds4

About 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one

4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one (PubChem CID 133354000) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
PubChem CID133354000
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
SMILESCc1ccc(N2CCC(Nc3cnn(-c4ccccc4)c(=O)c3Cl)C2=O)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14-7-9-15(10-8-14)25-12-11-17(20(25)27)24-18-13-23-26(21(28)19(18)22)16-5-3-2-4-6-16/h2-10,13,17,24H,11-12H2,1H3
InChIKeyWXVORXGPLISALP-UHFFFAOYSA-N
XLogP3.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one (CID 133354000) is 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one is Cc1ccc(N2CCC(Nc3cnn(-c4ccccc4)c(=O)c3Cl)C2=O)cc1.
What is the InChIKey of 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one?
The InChIKey is WXVORXGPLISALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14-7-9-15(10-8-14)25-12-11-17(20(25)27)24-18-13-23-26(21(28)19(18)22)16-5-3-2-4-6-16/h2-10,13,17,24H,11-12H2,1H3.
What are the key properties of 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one?
4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one has a molecular weight of 394.86 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133354000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).