dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide

C113H140BrCs2LiN26O21 — CID 157286220

About dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide

dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide (PubChem CID 157286220) has the molecular formula C113H140BrCs2LiN26O21 and a molecular weight of 2551.18 g/mol. Its IUPAC name is dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide
• PubChem CID: 157286220
• Molecular Formula: C113H140BrCs2LiN26O21
• Molecular Weight: 2551.18 g/mol
• Exact Mass: 2548.81
• IUPAC Name: dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide
• SMILES: C.CC(=O)CCCBr.CCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn(CCCC(C)=O)c1.CCOC(=O)c1cnn(CCCc2ccc3c(n2)NCCC3)c1.CCOC(=O)c1cnn(CCCc2ccc3cccnc3n2)c1.CCOC(=O)c1cnn(CCCc2ccc3cccnc3n2)c1.CCOC(=O)c1cnn(CCc2cc3cccnc3nc2C)c1.Nc1ncccc1C=O.O=C(O)c1cnn(CCCc2ccc3c(n2)NCCC3)c1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-]
• InChI: InChI=1S/C17H18N4O2.C17H22N4O2.2C17H18N4O2.C15H18N4O2.C11H16N2O3.C6H8N2O2.C6H6N2O.C5H9BrO.CH2O3.CH4.2Cs.Li.H2O.H/c1-3-23-17(22)15-10-19-21(11-15)8-6-13-9-14-5-4-7-18-16(14)20-12(13)2;3*1-2-23-17(22)14-11-19-21(12-14)10-4-6-15-8-7-13-5-3-9-18-16(13)20-15;20-15(21)12-9-17-19(10-12)8-2-4-13-6-5-11-3-1-7-16-14(11)18-13;1-3-16-11(15)10-7-12-13(8-10)6-4-5-9(2)14;1-2-10-6(9)5-3-7-8-4-5;7-6-5(4-9)2-1-3-8-6;1-5(7)3-2-4-6;2-1-4-3;;;;;;/h4-5,7,9-11H,3,6,8H2,1-2H3;7-8,11-12H,2-6,9-10H2,1H3,(H,18,20);2*3,5,7-9,11-12H,2,4,6,10H2,1H3;5-6,9-10H,1-4,7-8H2,(H,16,18)(H,20,21);7-8H,3-6H2,1-2H3;3-4H,2H2,1H3,(H,7,8);1-4H,(H2,7,8);2-4H2,1H3;1,3H;1H4;;;;1H2;/q;;;;;;;;;;;3*+1;;-1/p-2
• InChIKey: KJAIOJCZVCPMAJ-UHFFFAOYSA-L
• XLogP: 6.50
• TPSA: 627.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 41
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2551.18
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

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 dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide?

The IUPAC name of dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide (CID 157286220) is dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide.

What is the SMILES notation for dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide?

The canonical SMILES for dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide is C.CC(=O)CCCBr.CCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn(CCCC(C)=O)c1.CCOC(=O)c1cnn(CCCc2ccc3c(n2)NCCC3)c1.CCOC(=O)c1cnn(CCCc2ccc3cccnc3n2)c1.CCOC(=O)c1cnn(CCCc2ccc3cccnc3n2)c1.CCOC(=O)c1cnn(CCc2cc3cccnc3nc2C)c1.Nc1ncccc1C=O.O=C(O)c1cnn(CCCc2ccc3c(n2)NCCC3)c1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].

What is the InChIKey of dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide?

The InChIKey is KJAIOJCZVCPMAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H18N4O2.C17H22N4O2.2C17H18N4O2.C15H18N4O2.C11H16N2O3.C6H8N2O2.C6H6N2O.C5H9BrO.CH2O3.CH4.2Cs.Li.H2O.H/c1-3-23-17(22)15-10-19-21(11-15)8-6-13-9-14-5-4-7-18-16(14)20-12(13)2;3*1-2-23-17(22)14-11-19-21(12-14)10-4-6-15-8-7-13-5-3-9-18-16(13)20-15;20-15(21)12-9-17-19(10-12)8-2-4-13-6-5-11-3-1-7-16-14(11)18-13;1-3-16-11(15)10-7-12-13(8-10)6-4-5-9(2)14;1-2-10-6(9)5-3-7-8-4-5;7-6-5(4-9)2-1-3-8-6;1-5(7)3-2-4-6;2-1-4-3;;;;;;/h4-5,7,9-11H,3,6,8H2,1-2H3;7-8,11-12H,2-6,9-10H2,1H3,(H,18,20);2*3,5,7-9,11-12H,2,4,6,10H2,1H3;5-6,9-10H,1-4,7-8H2,(H,16,18)(H,20,21);7-8H,3-6H2,1-2H3;3-4H,2H2,1H3,(H,7,8);1-4H,(H2,7,8);2-4H2,1H3;1,3H;1H4;;;;1H2;/q;;;;;;;;;;;3*+1;;-1/p-2.

What are the key properties of dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide?

dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide has a molecular weight of 2551.18 g/mol, XLogP of 6.50, 41 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;lithium;2-aminopyridine-3-carbaldehyde;5-bromopentan-2-one;ethyl 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carboxylate;bis(ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate);ethyl 1-(4-oxopentyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;ethyl 1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylate;hydride;methane;oxido formate;1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carboxylic acid;hydroxide is sourced from PubChem (CID 157286220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).