dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C111H106ClCs2F9N14O21 — CID 159789661

About dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 159789661) has the molecular formula C111H106ClCs2F9N14O21 and a molecular weight of 2444.39 g/mol. Its IUPAC name is dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

• Compound Name: dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
• PubChem CID: 159789661
• Molecular Formula: C111H106ClCs2F9N14O21
• Molecular Weight: 2444.39 g/mol
• Exact Mass: 2442.53
• IUPAC Name: dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NCc1cc(N)cc(C(F)(F)F)c1.CC(C)(C)OC(=O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc5[nH]c(=O)ccc45)cc3C2)cc(C(F)(F)F)c1.NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc5[nH]c(=O)ccc45)cc3C2)cc(C(F)(F)F)c1.O=C(O)C1CCc2ccc(O)cc2C1.O=C(O)C1CCc2ccc(Oc3ccnc4[nH]c(=O)ccc34)cc2C1.O=CO[O-].O=c1ccc2c(Cl)ccnc2[nH]1.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C32H31F3N4O5.C27H23F3N4O3.C19H16N2O4.C13H17F3N2O2.C11H12O3.C8H5ClN2O.CH2O3.2Cs.H/c1-31(2,3)44-30(42)37-17-18-12-22(32(33,34)35)16-23(13-18)38-29(41)20-5-4-19-6-7-24(15-21(19)14-20)43-26-10-11-36-28-25(26)8-9-27(40)39-28;28-27(29,30)19-9-15(14-31)10-20(13-19)33-26(36)17-2-1-16-3-4-21(12-18(16)11-17)37-23-7-8-32-25-22(23)5-6-24(35)34-25;22-17-6-5-15-16(7-8-20-18(15)21-17)25-14-4-3-11-1-2-12(19(23)24)9-13(11)10-14;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;9-6-3-4-10-8-5(6)1-2-7(12)11-8;2-1-4-3;;;/h6-13,15-16,20H,4-5,14,17H2,1-3H3,(H,37,42)(H,38,41)(H,36,39,40);3-10,12-13,17H,1-2,11,14,31H2,(H,33,36)(H,32,34,35);3-8,10,12H,1-2,9H2,(H,23,24)(H,20,21,22);4-6H,7,17H2,1-3H3,(H,18,19);3-4,6,8,12H,1-2,5H2,(H,13,14);1-4H,(H,10,11,12);1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: LVJBSNXPFVCDFU-UHFFFAOYSA-M
• XLogP: 13.37
• TPSA: 541.78 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2444.39
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?

The IUPAC name of dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 159789661) is dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

What is the SMILES notation for dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?

The canonical SMILES for dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is CC(C)(C)OC(=O)NCc1cc(N)cc(C(F)(F)F)c1.CC(C)(C)OC(=O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc5[nH]c(=O)ccc45)cc3C2)cc(C(F)(F)F)c1.NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc5[nH]c(=O)ccc45)cc3C2)cc(C(F)(F)F)c1.O=C(O)C1CCc2ccc(O)cc2C1.O=C(O)C1CCc2ccc(Oc3ccnc4[nH]c(=O)ccc34)cc2C1.O=CO[O-].O=c1ccc2c(Cl)ccnc2[nH]1.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?

The InChIKey is LVJBSNXPFVCDFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H31F3N4O5.C27H23F3N4O3.C19H16N2O4.C13H17F3N2O2.C11H12O3.C8H5ClN2O.CH2O3.2Cs.H/c1-31(2,3)44-30(42)37-17-18-12-22(32(33,34)35)16-23(13-18)38-29(41)20-5-4-19-6-7-24(15-21(19)14-20)43-26-10-11-36-28-25(26)8-9-27(40)39-28;28-27(29,30)19-9-15(14-31)10-20(13-19)33-26(36)17-2-1-16-3-4-21(12-18(16)11-17)37-23-7-8-32-25-22(23)5-6-24(35)34-25;22-17-6-5-15-16(7-8-20-18(15)21-17)25-14-4-3-11-1-2-12(19(23)24)9-13(11)10-14;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;9-6-3-4-10-8-5(6)1-2-7(12)11-8;2-1-4-3;;;/h6-13,15-16,20H,4-5,14,17H2,1-3H3,(H,37,42)(H,38,41)(H,36,39,40);3-10,12-13,17H,1-2,11,14,31H2,(H,33,36)(H,32,34,35);3-8,10,12H,1-2,9H2,(H,23,24)(H,20,21,22);4-6H,7,17H2,1-3H3,(H,18,19);3-4,6,8,12H,1-2,5H2,(H,13,14);1-4H,(H,10,11,12);1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?

dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 2444.39 g/mol, XLogP of 13.37, 18 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 159789661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).