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

C59H52Cl4F10K2N12O8 — CID 159539446

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

dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate (PubChem CID 159539446) has the molecular formula C59H52Cl4F10K2N12O8 and a molecular weight of 1468.14 g/mol. Its IUPAC name is dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate
• PubChem CID: 159539446
• Molecular Formula: C59H52Cl4F10K2N12O8
• Molecular Weight: 1468.14 g/mol
• Exact Mass: 1465.20
• IUPAC Name: dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate
• SMILES: CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.CCOC(=O)c1cn[nH]c1C(F)(F)F.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
• InChI: InChI=1S/C23H20ClF3N6O.C17H13ClF3N3O2.C10H7Cl2N.C7H7F3N2O2.CH3F.CH2O3.2K.H/c1-12-5-20(28)31-13(2)17(12)9-30-22(34)18-11-33(32-21(18)23(25,26)27)10-14-3-4-19-15(6-14)7-16(24)8-29-19;1-2-26-16(25)13-9-24(23-15(13)17(19,20)21)8-10-3-4-14-11(5-10)6-12(18)7-22-14;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-2-14-6(13)4-3-11-12-5(4)7(8,9)10;1-2;2-1-4-3;;;/h3-8,11H,9-10H2,1-2H3,(H2,28,31)(H,30,34);3-7,9H,2,8H2,1H3;1-4,6H,5H2;3H,2H2,1H3,(H,11,12);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D
• InChIKey: VUZFTZIZDQIPIK-HHVZCZSDSA-M
• XLogP: 7.38
• TPSA: 272.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.14
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'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 dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate?

The IUPAC name of dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate (CID 159539446) is dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate.

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

The canonical SMILES for dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate is CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.CCOC(=O)c1cn[nH]c1C(F)(F)F.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[K+].[K+].

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

The InChIKey is VUZFTZIZDQIPIK-HHVZCZSDSA-M. The full InChI is InChI=1S/C23H20ClF3N6O.C17H13ClF3N3O2.C10H7Cl2N.C7H7F3N2O2.CH3F.CH2O3.2K.H/c1-12-5-20(28)31-13(2)17(12)9-30-22(34)18-11-33(32-21(18)23(25,26)27)10-14-3-4-19-15(6-14)7-16(24)8-29-19;1-2-26-16(25)13-9-24(23-15(13)17(19,20)21)8-10-3-4-14-11(5-10)6-12(18)7-22-14;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-2-14-6(13)4-3-11-12-5(4)7(8,9)10;1-2;2-1-4-3;;;/h3-8,11H,9-10H2,1-2H3,(H2,28,31)(H,30,34);3-7,9H,2,8H2,1H3;1-4,6H,5H2;3H,2H2,1H3,(H,11,12);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D;;;;.

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

dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate has a molecular weight of 1468.14 g/mol, XLogP of 7.38, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;hydride;oxido formate is sourced from PubChem (CID 159539446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).