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

C58H59Cl4FK2N12O8 — CID 160750342

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

dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate (PubChem CID 160750342) has the molecular formula C58H59Cl4FK2N12O8 and a molecular weight of 1292.20 g/mol. Its IUPAC name is dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate
• PubChem CID: 160750342
• Molecular Formula: C58H59Cl4FK2N12O8
• Molecular Weight: 1292.20 g/mol
• Exact Mass: 1289.27
• IUPAC Name: dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate
• SMILES: CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.CCOC(=O)c1cn[nH]c1C.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
• InChI: InChI=1S/C22H21ClN6O.C17H16ClN3O2.C10H7Cl2N.C7H10N2O2.CH3F.CH2O3.2K.H/c1-13-16(4-6-21(24)27-13)9-26-22(30)19-12-29(28-14(19)2)11-15-3-5-20-17(7-15)8-18(23)10-25-20;1-3-23-17(22)15-10-21(20-11(15)2)9-12-4-5-16-13(6-12)7-14(18)8-19-16;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-3-11-7(10)6-4-8-9-5(6)2;1-2;2-1-4-3;;;/h3-8,10,12H,9,11H2,1-2H3,(H2,24,27)(H,26,30);4-8,10H,3,9H2,1-2H3;1-4,6H,5H2;4H,3H2,1-2H3,(H,8,9);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D
• InChIKey: DKVPRILQOQJGQB-HHVZCZSDSA-M
• XLogP: 4.94
• TPSA: 272.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1292.20
LogP ≤ 5	4.94
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-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate?

The IUPAC name of dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate (CID 160750342) is dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate.

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

The canonical SMILES for dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate is CCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.CCOC(=O)c1cn[nH]c1C.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[K+].[K+].

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

The InChIKey is DKVPRILQOQJGQB-HHVZCZSDSA-M. The full InChI is InChI=1S/C22H21ClN6O.C17H16ClN3O2.C10H7Cl2N.C7H10N2O2.CH3F.CH2O3.2K.H/c1-13-16(4-6-21(24)27-13)9-26-22(30)19-12-29(28-14(19)2)11-15-3-5-20-17(7-15)8-18(23)10-25-20;1-3-23-17(22)15-10-21(20-11(15)2)9-12-4-5-16-13(6-12)7-14(18)8-19-16;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-3-11-7(10)6-4-8-9-5(6)2;1-2;2-1-4-3;;;/h3-8,10,12H,9,11H2,1-2H3,(H2,24,27)(H,26,30);4-8,10H,3,9H2,1-2H3;1-4,6H,5H2;4H,3H2,1-2H3,(H,8,9);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D;;;;.

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

dipotassium;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate has a molecular weight of 1292.20 g/mol, XLogP of 4.94, 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-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;hydride;oxido formate is sourced from PubChem (CID 160750342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).