dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid

C138H175Br3Cs2N24O25S — CID 160941042

About dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid

dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid (PubChem CID 160941042) has the molecular formula C138H175Br3Cs2N24O25S and a molecular weight of 3107.65 g/mol. Its IUPAC name is dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid.

Molecular Properties

• Compound Name: dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid
• PubChem CID: 160941042
• Molecular Formula: C138H175Br3Cs2N24O25S
• Molecular Weight: 3107.65 g/mol
• Exact Mass: 3102.85
• IUPAC Name: dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid
• SMILES: Brc1ccn[nH]1.C=CC(=O)OC(C)(C)C.C=CCCc1ccc2cccnc2n1.COc1ccc(/C=C/C(=O)OC(C)(C)C)cn1.COc1ccc(Br)cn1.COc1ccc(C(CC(=O)O)n2ccc(CCCCc3ccc4c(n3)NCCC4)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(/C=C/CCc3ccc4c(n3)NCCC4)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(Br)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(CCCCc3ccc4c(n3)NCCC4)n2)cn1.O=CO[O-].O=S(=O)(O)O.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C28H37N5O3.C28H35N5O3.C24H29N5O3.C16H20BrN3O3.C13H17NO3.C12H12N2.C7H12O2.C6H6BrNO.C3H3BrN2.CH2O3.2Cs.H2O4S.H/c2*1-28(2,3)36-26(34)18-24(21-12-14-25(35-4)30-19-21)33-17-15-23(32-33)10-6-5-9-22-13-11-20-8-7-16-29-27(20)31-22;1-32-22-11-9-18(16-26-22)21(15-23(30)31)29-14-12-20(28-29)7-3-2-6-19-10-8-17-5-4-13-25-24(17)27-19;1-16(2,3)23-15(21)9-12(20-8-7-13(17)19-20)11-5-6-14(22-4)18-10-11;1-13(2,3)17-12(15)8-6-10-5-7-11(16-4)14-9-10;1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-5-6(8)9-7(2,3)4;1-9-6-3-2-5(7)4-8-6;4-3-1-2-5-6-3;2-1-4-3;;;1-5(2,3)4;/h11-15,17,19,24H,5-10,16,18H2,1-4H3,(H,29,31);6,10-15,17,19,24H,5,7-9,16,18H2,1-4H3,(H,29,31);8-12,14,16,21H,2-7,13,15H2,1H3,(H,25,27)(H,30,31);5-8,10,12H,9H2,1-4H3;5-9H,1-4H3;2,4-5,7-9H,1,3,6H2;5H,1H2,2-4H3;2-4H,1H3;1-2H,(H,5,6);1,3H;;;(H2,1,2,3,4);/q;;;;;;;;;;2*+1;;-1/p-1/b;10-6+;;;8-6+
• InChIKey: GPRNZPYQWVIYNF-YJGNPWLMSA-M
• XLogP: 18.61
• TPSA: 625.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 43
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3107.65
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid?

The IUPAC name of dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid (CID 160941042) is dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid.

What is the SMILES notation for dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid?

The canonical SMILES for dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid is Brc1ccn[nH]1.C=CC(=O)OC(C)(C)C.C=CCCc1ccc2cccnc2n1.COc1ccc(/C=C/C(=O)OC(C)(C)C)cn1.COc1ccc(Br)cn1.COc1ccc(C(CC(=O)O)n2ccc(CCCCc3ccc4c(n3)NCCC4)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(/C=C/CCc3ccc4c(n3)NCCC4)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(Br)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(CCCCc3ccc4c(n3)NCCC4)n2)cn1.O=CO[O-].O=S(=O)(O)O.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid?

The InChIKey is GPRNZPYQWVIYNF-YJGNPWLMSA-M. The full InChI is InChI=1S/C28H37N5O3.C28H35N5O3.C24H29N5O3.C16H20BrN3O3.C13H17NO3.C12H12N2.C7H12O2.C6H6BrNO.C3H3BrN2.CH2O3.2Cs.H2O4S.H/c2*1-28(2,3)36-26(34)18-24(21-12-14-25(35-4)30-19-21)33-17-15-23(32-33)10-6-5-9-22-13-11-20-8-7-16-29-27(20)31-22;1-32-22-11-9-18(16-26-22)21(15-23(30)31)29-14-12-20(28-29)7-3-2-6-19-10-8-17-5-4-13-25-24(17)27-19;1-16(2,3)23-15(21)9-12(20-8-7-13(17)19-20)11-5-6-14(22-4)18-10-11;1-13(2,3)17-12(15)8-6-10-5-7-11(16-4)14-9-10;1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-5-6(8)9-7(2,3)4;1-9-6-3-2-5(7)4-8-6;4-3-1-2-5-6-3;2-1-4-3;;;1-5(2,3)4;/h11-15,17,19,24H,5-10,16,18H2,1-4H3,(H,29,31);6,10-15,17,19,24H,5,7-9,16,18H2,1-4H3,(H,29,31);8-12,14,16,21H,2-7,13,15H2,1H3,(H,25,27)(H,30,31);5-8,10,12H,9H2,1-4H3;5-9H,1-4H3;2,4-5,7-9H,1,3,6H2;5H,1H2,2-4H3;2-4H,1H3;1-2H,(H,5,6);1,3H;;;(H2,1,2,3,4);/q;;;;;;;;;;2*+1;;-1/p-1/b;10-6+;;;8-6+;;;;;;;;;.

What are the key properties of dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid?

dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid has a molecular weight of 3107.65 g/mol, XLogP of 18.61, 43 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;5-bromo-2-methoxypyridine;5-bromo-1H-pyrazole;2-but-3-enyl-1,8-naphthyridine;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)but-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoate;tert-butyl prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pyrazol-1-yl]propanoic acid;oxido formate;sulfuric acid is sourced from PubChem (CID 160941042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).