dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate

C82H87Cs2F6N11O18 — CID 159357568

About dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate

dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate (PubChem CID 159357568) has the molecular formula C82H87Cs2F6N11O18 and a molecular weight of 1894.45 g/mol. Its IUPAC name is dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate.

Molecular Properties

• Compound Name: dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate
• PubChem CID: 159357568
• Molecular Formula: C82H87Cs2F6N11O18
• Molecular Weight: 1894.45 g/mol
• Exact Mass: 1893.42
• IUPAC Name: dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate
• SMILES: CC(C)(C)OC(=O)NCc1cc(N)cc(C(F)(F)F)c1.NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1.O=C(Nc1cc([N+](=O)[O-])ccn1)C1CC1.O=C(O)C1CCc2ccc(O)cc2C1.O=C(O)C1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C28H27F3N4O3.C20H20N2O4.C13H17F3N2O2.C11H12O3.C9H9N3O3.CH2O3.2Cs.H/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18;23-19(13-2-3-13)22-18-11-17(7-8-21-18)26-16-6-5-12-1-4-14(20(24)25)9-15(12)10-16;1-12(2,3)20-11(19)18-7-8-4-9(13(14,15)16)6-10(17)5-8;12-10-4-3-7-1-2-8(11(13)14)5-9(7)6-10;13-9(6-1-2-6)11-8-5-7(12(14)15)3-4-10-8;2-1-4-3;;;/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36);5-8,10-11,13-14H,1-4,9H2,(H,24,25)(H,21,22,23);4-6H,7,17H2,1-3H3,(H,18,19);3-4,6,8,12H,1-2,5H2,(H,13,14);3-6H,1-2H2,(H,10,11,13);1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: FPDBZVXFCSHWIR-UHFFFAOYSA-M
• XLogP: 7.64
• TPSA: 451.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.45
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate?

The IUPAC name of dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate (CID 159357568) is dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate.

What is the SMILES notation for dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate?

The canonical SMILES for dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate is CC(C)(C)OC(=O)NCc1cc(N)cc(C(F)(F)F)c1.NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1.O=C(Nc1cc([N+](=O)[O-])ccn1)C1CC1.O=C(O)C1CCc2ccc(O)cc2C1.O=C(O)C1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate?

The InChIKey is FPDBZVXFCSHWIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H27F3N4O3.C20H20N2O4.C13H17F3N2O2.C11H12O3.C9H9N3O3.CH2O3.2Cs.H/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18;23-19(13-2-3-13)22-18-11-17(7-8-21-18)26-16-6-5-12-1-4-14(20(24)25)9-15(12)10-16;1-12(2,3)20-11(19)18-7-8-4-9(13(14,15)16)6-10(17)5-8;12-10-4-3-7-1-2-8(11(13)14)5-9(7)6-10;13-9(6-1-2-6)11-8-5-7(12(14)15)3-4-10-8;2-1-4-3;;;/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36);5-8,10-11,13-14H,1-4,9H2,(H,24,25)(H,21,22,23);4-6H,7,17H2,1-3H3,(H,18,19);3-4,6,8,12H,1-2,5H2,(H,13,14);3-6H,1-2H2,(H,10,11,13);1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate?

dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate has a molecular weight of 1894.45 g/mol, XLogP of 7.64, 19 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;N-(4-nitro-2-pyridinyl)cyclopropanecarboxamide;oxido formate is sourced from PubChem (CID 159357568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).