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

C51H47BrCl4FK2N15O8 — CID 159027162

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

dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate (PubChem CID 159027162) has the molecular formula C51H47BrCl4FK2N15O8 and a molecular weight of 1317.95 g/mol. Its IUPAC name is dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate.

Molecular Properties

• Compound Name: dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate
• PubChem CID: 159027162
• Molecular Formula: C51H47BrCl4FK2N15O8
• Molecular Weight: 1317.95 g/mol
• Exact Mass: 1314.10
• IUPAC Name: dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate
• SMILES: COC(=O)c1ncn(Cc2ccc3ncc(Cl)cc3c2)n1.COC(=O)c1ncn[nH]1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
• InChI: InChI=1S/C21H19BrClN7O.C14H11ClN4O2.C10H7Cl2N.C4H5N3O2.CH3F.CH2O3.2K.H/c1-11-5-18(24)27-12(2)16(11)9-26-20(31)19-28-21(22)30(29-19)10-13-3-4-17-14(6-13)7-15(23)8-25-17;1-21-14(20)13-17-8-19(18-13)7-9-2-3-12-10(4-9)5-11(15)6-16-12;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-9-4(8)3-5-2-6-7-3;1-2;2-1-4-3;;;/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,26,31);2-6,8H,7H2,1H3;1-4,6H,5H2;2H,1H3,(H,5,6,7);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D
• InChIKey: AVWFZIQKEIUNNX-HHVZCZSDSA-M
• XLogP: 2.49
• TPSA: 311.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1317.95
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate?

The IUPAC name of dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate (CID 159027162) is dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate.

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

The canonical SMILES for dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate is COC(=O)c1ncn(Cc2ccc3ncc(Cl)cc3c2)n1.COC(=O)c1ncn[nH]1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1.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]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate?

The InChIKey is AVWFZIQKEIUNNX-HHVZCZSDSA-M. The full InChI is InChI=1S/C21H19BrClN7O.C14H11ClN4O2.C10H7Cl2N.C4H5N3O2.CH3F.CH2O3.2K.H/c1-11-5-18(24)27-12(2)16(11)9-26-20(31)19-28-21(22)30(29-19)10-13-3-4-17-14(6-13)7-15(23)8-25-17;1-21-14(20)13-17-8-19(18-13)7-9-2-3-12-10(4-9)5-11(15)6-16-12;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-9-4(8)3-5-2-6-7-3;1-2;2-1-4-3;;;/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,26,31);2-6,8H,7H2,1H3;1-4,6H,5H2;2H,1H3,(H,5,6,7);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]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate?

dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate has a molecular weight of 1317.95 g/mol, XLogP of 2.49, 11 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate is sourced from PubChem (CID 159027162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).