1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one

C52H42Cl2N16O6 — CID 160794092

About 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one

1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one (PubChem CID 160794092) has the molecular formula C52H42Cl2N16O6 and a molecular weight of 1057.92 g/mol. Its IUPAC name is 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one.

Molecular Properties

• Compound Name: 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one
• PubChem CID: 160794092
• Molecular Formula: C52H42Cl2N16O6
• Molecular Weight: 1057.92 g/mol
• Exact Mass: 1056.29
• IUPAC Name: 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one
• SMILES: C=C1CC(=O)N(c2cn(-c3cccnc3)nc2Cl)C1=O.CC1=CC(=O)N(c2cn(-c3cccnc3)nc2Cl)C1=O.O=C1C=CCCN1c1cnn(-c2cccnc2)c1.O=C1CC=CCN1c1cnn(-c2cccnc2)c1
• InChI: InChI=1S/2C13H9ClN4O2.2C13H12N4O/c2*1-8-5-11(19)18(13(8)20)10-7-17(16-12(10)14)9-3-2-4-15-6-9;2*18-13-5-1-2-7-16(13)12-9-15-17(10-12)11-4-3-6-14-8-11/h2-7H,1H3;2-4,6-7H,1,5H2;1,3-6,8-10H,2,7H2;1-4,6,8-10H,5,7H2
• InChIKey: SCFAIBICOYJQGR-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 238.22 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.92
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one?

The IUPAC name of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one (CID 160794092) is 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one.

What is the SMILES notation for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one?

The canonical SMILES for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one is C=C1CC(=O)N(c2cn(-c3cccnc3)nc2Cl)C1=O.CC1=CC(=O)N(c2cn(-c3cccnc3)nc2Cl)C1=O.O=C1C=CCCN1c1cnn(-c2cccnc2)c1.O=C1CC=CCN1c1cnn(-c2cccnc2)c1.

What is the InChIKey of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one?

The InChIKey is SCFAIBICOYJQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9ClN4O2.2C13H12N4O/c2*1-8-5-11(19)18(13(8)20)10-7-17(16-12(10)14)9-3-2-4-15-6-9;2*18-13-5-1-2-7-16(13)12-9-15-17(10-12)11-4-3-6-14-8-11/h2-7H,1H3;2-4,6-7H,1,5H2;1,3-6,8-10H,2,7H2;1-4,6,8-10H,5,7H2.

What are the key properties of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one?

1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one has a molecular weight of 1057.92 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one is sourced from PubChem (CID 160794092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).