disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate

C96H79Cl6F16N21Na2O11 — CID 158080888

About disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate

disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate (PubChem CID 158080888) has the molecular formula C96H79Cl6F16N21Na2O11 and a molecular weight of 2266.50 g/mol. Its IUPAC name is disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate.

Molecular Properties

• Compound Name: disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate
• PubChem CID: 158080888
• Molecular Formula: C96H79Cl6F16N21Na2O11
• Molecular Weight: 2266.50 g/mol
• Exact Mass: 2262.40
• IUPAC Name: disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate
• SMILES: COC(=O)c1cc(C(F)(F)F)[nH]n1.COC(=O)c1cc(C(F)(F)F)n(Cc2ccc3ncc(Cl)cc3c2)n1.COC(=O)c1cc(C(F)(F)F)nn1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cc(C(F)(F)F)n(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cc(C(F)(F)F)nn1Cc1ccc2ncc(Cl)cc2c1.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[Na+].[Na+]
• InChI: InChI=1S/2C23H20ClF3N6O.2C16H11ClF3N3O2.C10H7Cl2N.C6H5F3N2O2.CH3F.CH2O3.2Na.H/c1-12-5-21(28)31-13(2)17(12)10-30-22(34)19-8-20(23(25,26)27)32-33(19)11-14-3-4-18-15(6-14)7-16(24)9-29-18;1-12-5-21(28)31-13(2)17(12)10-30-22(34)19-8-20(23(25,26)27)33(32-19)11-14-3-4-18-15(6-14)7-16(24)9-29-18;1-25-15(24)13-6-14(16(18,19)20)22-23(13)8-9-2-3-12-10(4-9)5-11(17)7-21-12;1-25-15(24)13-6-14(16(18,19)20)23(22-13)8-9-2-3-12-10(4-9)5-11(17)7-21-12;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-13-5(12)3-2-4(11-10-3)6(7,8)9;1-2;2-1-4-3;;;/h2*3-9H,10-11H2,1-2H3,(H2,28,31)(H,30,34);2*2-7H,8H2,1H3;1-4,6H,5H2;2H,1H3,(H,10,11);1H3;1,3H;;;/q;;;;;;;;2*+1;-1/p-1/i;;;;;;1D
• InChIKey: SZIDHXAEZLQVLV-HEDYAXNFSA-M
• XLogP: 15.21
• TPSA: 428.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2266.50
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate?

The IUPAC name of disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate (CID 158080888) is disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate.

What is the SMILES notation for disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate?

The canonical SMILES for disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate is COC(=O)c1cc(C(F)(F)F)[nH]n1.COC(=O)c1cc(C(F)(F)F)n(Cc2ccc3ncc(Cl)cc3c2)n1.COC(=O)c1cc(C(F)(F)F)nn1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cc(C(F)(F)F)n(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cc(C(F)(F)F)nn1Cc1ccc2ncc(Cl)cc2c1.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[Na+].[Na+].

What is the InChIKey of disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate?

The InChIKey is SZIDHXAEZLQVLV-HEDYAXNFSA-M. The full InChI is InChI=1S/2C23H20ClF3N6O.2C16H11ClF3N3O2.C10H7Cl2N.C6H5F3N2O2.CH3F.CH2O3.2Na.H/c1-12-5-21(28)31-13(2)17(12)10-30-22(34)19-8-20(23(25,26)27)32-33(19)11-14-3-4-18-15(6-14)7-16(24)9-29-18;1-12-5-21(28)31-13(2)17(12)10-30-22(34)19-8-20(23(25,26)27)33(32-19)11-14-3-4-18-15(6-14)7-16(24)9-29-18;1-25-15(24)13-6-14(16(18,19)20)22-23(13)8-9-2-3-12-10(4-9)5-11(17)7-21-12;1-25-15(24)13-6-14(16(18,19)20)23(22-13)8-9-2-3-12-10(4-9)5-11(17)7-21-12;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-13-5(12)3-2-4(11-10-3)6(7,8)9;1-2;2-1-4-3;;;/h2*3-9H,10-11H2,1-2H3,(H2,28,31)(H,30,34);2*2-7H,8H2,1H3;1-4,6H,5H2;2H,1H3,(H,10,11);1H3;1,3H;;;/q;;;;;;;;2*+1;-1/p-1/i;;;;;;1D;;;;.

What are the key properties of disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate?

disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate has a molecular weight of 2266.50 g/mol, XLogP of 15.21, 19 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate;methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate;oxido formate is sourced from PubChem (CID 158080888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).