N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel

C58H51Cl3F2N13NiO6- — CID 157242896

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel (PubChem CID 157242896) has the molecular formula C58H51Cl3F2N13NiO6- and a molecular weight of 1229.18 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel
• PubChem CID: 157242896
• Molecular Formula: C58H51Cl3F2N13NiO6-
• Molecular Weight: 1229.18 g/mol
• Exact Mass: 1226.25
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel
• SMILES: CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C#N.CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C=O.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)F.[CH3-].[Ni]
• InChI: InChI=1S/C23H21ClF2N6O.C17H13ClN4O2.C17H14ClN3O3.CH3.Ni/c1-12-5-20(27)30-13(2)17(12)9-29-23(33)18-11-32(31-21(18)22(25)26)10-14-3-4-19-15(6-14)7-16(24)8-28-19;1-2-24-17(23)14-10-22(21-16(14)7-19)9-11-3-4-15-12(5-11)6-13(18)8-20-15;1-2-24-17(23)14-9-21(20-16(14)10-22)8-11-3-4-15-12(5-11)6-13(18)7-19-15;;/h3-8,11,22H,9-10H2,1-2H3,(H2,27,30)(H,29,33);3-6,8,10H,2,9H2,1H3;3-7,9-10H,2,8H2,1H3;1H3;/q;;;-1
• InChIKey: MGAKZBIGJQRSNR-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 253.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.18
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel (CID 157242896) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel is CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C#N.CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C=O.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)F.[CH3-].[Ni].

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel?

The InChIKey is MGAKZBIGJQRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N6O.C17H13ClN4O2.C17H14ClN3O3.CH3.Ni/c1-12-5-20(27)30-13(2)17(12)9-29-23(33)18-11-32(31-21(18)22(25)26)10-14-3-4-19-15(6-14)7-16(24)8-28-19;1-2-24-17(23)14-10-22(21-16(14)7-19)9-11-3-4-15-12(5-11)6-13(18)8-20-15;1-2-24-17(23)14-9-21(20-16(14)10-22)8-11-3-4-15-12(5-11)6-13(18)7-19-15;;/h3-8,11,22H,9-10H2,1-2H3,(H2,27,30)(H,29,33);3-6,8,10H,2,9H2,1H3;3-7,9-10H,2,8H2,1H3;1H3;/q;;;-1;.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel has a molecular weight of 1229.18 g/mol, XLogP of 11.35, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel is sourced from PubChem (CID 157242896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).