4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one

C21H19Cl2N5O2 — CID 133404507

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one
SMILESCc1ccc(-n2ncc(NC3CCN(C(=O)c4ccccn4)C3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C21H19Cl2N5O2/c1-13-5-6-15(10-16(13)22)28-21(30)19(23)18(11-25-28)26-14-7-9-27(12-14)20(29)17-4-2-3-8-24-17/h2-6,8,10-11,14,26H,7,9,12H2,1H3
InChIKeyFQSKBSZUJMVQAN-UHFFFAOYSA-N
MW444.32 g/mol
LogP3.57
Rot. Bonds4

About 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one

4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one (PubChem CID 133404507) has the molecular formula C21H19Cl2N5O2 and a molecular weight of 444.32 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one
PubChem CID133404507
Molecular FormulaC21H19Cl2N5O2
Molecular Weight444.32 g/mol
Exact Mass443.09
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one
SMILESCc1ccc(-n2ncc(NC3CCN(C(=O)c4ccccn4)C3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C21H19Cl2N5O2/c1-13-5-6-15(10-16(13)22)28-21(30)19(23)18(11-25-28)26-14-7-9-27(12-14)20(29)17-4-2-3-8-24-17/h2-6,8,10-11,14,26H,7,9,12H2,1H3
InChIKeyFQSKBSZUJMVQAN-UHFFFAOYSA-N
XLogP3.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one with MolForge

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Related Compounds

methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate
CID 133275627
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133305246
2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
CID 133441864
3-chloro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 75433556
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 97237121
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133404555
(2R)-2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-3-methylbutanoic acid
CID 122050893
3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507497
[3-(4-iodo-2-nitroanilino)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404565
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one (CID 133404507) is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one is Cc1ccc(-n2ncc(NC3CCN(C(=O)c4ccccn4)C3)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one?
The InChIKey is FQSKBSZUJMVQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2/c1-13-5-6-15(10-16(13)22)28-21(30)19(23)18(11-25-28)26-14-7-9-27(12-14)20(29)17-4-2-3-8-24-17/h2-6,8,10-11,14,26H,7,9,12H2,1H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one has a molecular weight of 444.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 133404507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).