dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate

C152H177Br2Cs2N23O24 — CID 160862823

About dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate

dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate (PubChem CID 160862823) has the molecular formula C152H177Br2Cs2N23O24 and a molecular weight of 3135.84 g/mol. Its IUPAC name is dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate.

Molecular Properties

• Compound Name: dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate
• PubChem CID: 160862823
• Molecular Formula: C152H177Br2Cs2N23O24
• Molecular Weight: 3135.84 g/mol
• Exact Mass: 3131.98
• IUPAC Name: dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate
• SMILES: Brc1cccc2[nH]ncc12.C=Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.COc1ccc(/C=C/C(=O)OC(C)(C)C)cn1.COc1ccc(C(CC(=O)O)n2ncc3c(CCc4ccc5c(n4)NCCC5)cccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(/C=C/c4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(Br)cccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(CCc4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C35H43N5O5.C35H41N5O5.C26H27N5O3.C20H22BrN3O3.C15H20N2O2.C13H17NO3.C7H5BrN2.CH2O3.2Cs.H/c2*1-34(2,3)44-31(41)20-29(25-15-18-30(43-7)36-21-25)40-28-12-8-10-23(27(28)22-37-40)13-16-26-17-14-24-11-9-19-39(32(24)38-26)33(42)45-35(4,5)6;1-34-24-12-9-19(15-28-24)23(14-25(32)33)31-22-6-2-4-17(21(22)16-29-31)7-10-20-11-8-18-5-3-13-27-26(18)30-20;1-20(2,3)27-19(25)10-17(13-8-9-18(26-4)22-11-13)24-16-7-5-6-15(21)14(16)12-23-24;1-5-12-9-8-11-7-6-10-17(13(11)16-12)14(18)19-15(2,3)4;1-13(2,3)17-12(15)8-6-10-5-7-11(16-4)14-9-10;8-6-2-1-3-7-5(6)4-9-10-7;2-1-4-3;;;/h8,10,12,14-15,17-18,21-22,29H,9,11,13,16,19-20H2,1-7H3;8,10,12-18,21-22,29H,9,11,19-20H2,1-7H3;2,4,6,8-9,11-12,15-16,23H,3,5,7,10,13-14H2,1H3,(H,27,30)(H,32,33);5-9,11-12,17H,10H2,1-4H3;5,8-9H,1,6-7,10H2,2-4H3;5-9H,1-4H3;1-4H,(H,9,10);1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;16-13+;;;;8-6+
• InChIKey: HQQIFEMNKHAPEN-LKLHETBGSA-M
• XLogP: 22.95
• TPSA: 554.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3135.84
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate?

The IUPAC name of dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate (CID 160862823) is dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate.

What is the SMILES notation for dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate?

The canonical SMILES for dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate is Brc1cccc2[nH]ncc12.C=Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.COc1ccc(/C=C/C(=O)OC(C)(C)C)cn1.COc1ccc(C(CC(=O)O)n2ncc3c(CCc4ccc5c(n4)NCCC5)cccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(/C=C/c4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(Br)cccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(CCc4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate?

The InChIKey is HQQIFEMNKHAPEN-LKLHETBGSA-M. The full InChI is InChI=1S/C35H43N5O5.C35H41N5O5.C26H27N5O3.C20H22BrN3O3.C15H20N2O2.C13H17NO3.C7H5BrN2.CH2O3.2Cs.H/c2*1-34(2,3)44-31(41)20-29(25-15-18-30(43-7)36-21-25)40-28-12-8-10-23(27(28)22-37-40)13-16-26-17-14-24-11-9-19-39(32(24)38-26)33(42)45-35(4,5)6;1-34-24-12-9-19(15-28-24)23(14-25(32)33)31-22-6-2-4-17(21(22)16-29-31)7-10-20-11-8-18-5-3-13-27-26(18)30-20;1-20(2,3)27-19(25)10-17(13-8-9-18(26-4)22-11-13)24-16-7-5-6-15(21)14(16)12-23-24;1-5-12-9-8-11-7-6-10-17(13(11)16-12)14(18)19-15(2,3)4;1-13(2,3)17-12(15)8-6-10-5-7-11(16-4)14-9-10;8-6-2-1-3-7-5(6)4-9-10-7;2-1-4-3;;;/h8,10,12,14-15,17-18,21-22,29H,9,11,13,16,19-20H2,1-7H3;8,10,12-18,21-22,29H,9,11,19-20H2,1-7H3;2,4,6,8-9,11-12,15-16,23H,3,5,7,10,13-14H2,1H3,(H,27,30)(H,32,33);5-9,11-12,17H,10H2,1-4H3;5,8-9H,1,6-7,10H2,2-4H3;5-9H,1-4H3;1-4H,(H,9,10);1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;16-13+;;;;8-6+;;;;;.

What are the key properties of dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate?

dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate has a molecular weight of 3135.84 g/mol, XLogP of 22.95, 33 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;4-bromo-1H-indazole;tert-butyl 3-(4-bromoindazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 7-ethenyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(E)-2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;hydride;3-(6-methoxy-3-pyridinyl)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]indazol-1-yl]propanoic acid;oxido formate is sourced from PubChem (CID 160862823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).