2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C132H143BBrCl5N30O23 — CID 160973079

IUPAC2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)c(N)nc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(N)nc21.CC1(O)CNC1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(O)C4)c3nc2N)cn1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)O)c3nc2N)cn1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)OC(C)(C)C)c3nc2N)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C26H26ClN7O4.C26H27ClN6O4.C22H22BrClN4O4.C22H19ClN6O4.C22H23ClN4O4.C10H17BN2O2.C4H9NO/c1-26(38)13-33(14-26)21(35)12-34-23-16(7-19(22(28)31-23)17-10-30-32(2)11-17)8-20(25(34)37)24(36)29-9-15-3-5-18(27)6-4-15;1-26(2,3)37-21(34)14-33-23-16(9-19(22(28)31-23)17-12-30-32(4)13-17)10-20(25(33)36)24(35)29-11-15-5-7-18(27)8-6-15;1-22(2,3)32-17(29)11-28-19-13(9-16(23)18(25)27-19)8-15(21(28)31)20(30)26-10-12-4-6-14(24)7-5-12;1-28-10-14(9-26-28)16-6-13-7-17(21(32)25-8-12-2-4-15(23)5-3-12)22(33)29(11-18(30)31)20(13)27-19(16)24;1-22(2,3)31-18(28)12-27-19-14(6-9-17(24)26-19)10-16(21(27)30)20(29)25-11-13-4-7-15(23)8-5-13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-4(6)2-5-3-4/h3-8,10-11,38H,9,12-14H2,1-2H3,(H2,28,31)(H,29,36);5-10,12-13H,11,14H2,1-4H3,(H2,28,31)(H,29,35);4-9H,10-11H2,1-3H3,(H2,25,27)(H,26,30);2-7,9-10H,8,11H2,1H3,(H2,24,27)(H,25,32)(H,30,31);4-10H,11-12H2,1-3H3,(H2,24,26)(H,25,29);6-7H,1-5H3;5-6H,2-3H2,1H3
InChIKeySYMZGOAWIQYVKX-UHFFFAOYSA-N
MW2785.76 g/mol
LogP13.54
Rot. Bonds29

About 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 160973079) has the molecular formula C132H143BBrCl5N30O23 and a molecular weight of 2785.76 g/mol. Its IUPAC name is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID160973079
Molecular FormulaC132H143BBrCl5N30O23
Molecular Weight2785.76 g/mol
Exact Mass2780.87
IUPAC Name2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)c(N)nc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(N)nc21.CC1(O)CNC1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(O)C4)c3nc2N)cn1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)O)c3nc2N)cn1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)OC(C)(C)C)c3nc2N)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C26H26ClN7O4.C26H27ClN6O4.C22H22BrClN4O4.C22H19ClN6O4.C22H23ClN4O4.C10H17BN2O2.C4H9NO/c1-26(38)13-33(14-26)21(35)12-34-23-16(7-19(22(28)31-23)17-10-30-32(2)11-17)8-20(25(34)37)24(36)29-9-15-3-5-18(27)6-4-15;1-26(2,3)37-21(34)14-33-23-16(9-19(22(28)31-23)17-12-30-32(4)13-17)10-20(25(33)36)24(35)29-11-15-5-7-18(27)8-6-15;1-22(2,3)32-17(29)11-28-19-13(9-16(23)18(25)27-19)8-15(21(28)31)20(30)26-10-12-4-6-14(24)7-5-12;1-28-10-14(9-26-28)16-6-13-7-17(21(32)25-8-12-2-4-15(23)5-3-12)22(33)29(11-18(30)31)20(13)27-19(16)24;1-22(2,3)31-18(28)12-27-19-14(6-9-17(24)26-19)10-16(21(27)30)20(29)25-11-13-4-7-15(23)8-5-13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-4(6)2-5-3-4/h3-8,10-11,38H,9,12-14H2,1-2H3,(H2,28,31)(H,29,36);5-10,12-13H,11,14H2,1-4H3,(H2,28,31)(H,29,35);4-9H,10-11H2,1-3H3,(H2,25,27)(H,26,30);2-7,9-10H,8,11H2,1H3,(H2,24,27)(H,25,32)(H,30,31);4-10H,11-12H2,1-3H3,(H2,24,26)(H,25,29);6-7H,1-5H3;5-6H,2-3H2,1H3
InChIKeySYMZGOAWIQYVKX-UHFFFAOYSA-N
XLogP13.54
TPSA728.79 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds29
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002785.76
LogP ≤ 513.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 160973079) is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)c(N)nc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(N)nc21.CC1(O)CNC1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(O)C4)c3nc2N)cn1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)O)c3nc2N)cn1.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)OC(C)(C)C)c3nc2N)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is SYMZGOAWIQYVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O4.C26H27ClN6O4.C22H22BrClN4O4.C22H19ClN6O4.C22H23ClN4O4.C10H17BN2O2.C4H9NO/c1-26(38)13-33(14-26)21(35)12-34-23-16(7-19(22(28)31-23)17-10-30-32(2)11-17)8-20(25(34)37)24(36)29-9-15-3-5-18(27)6-4-15;1-26(2,3)37-21(34)14-33-23-16(9-19(22(28)31-23)17-12-30-32(4)13-17)10-20(25(33)36)24(35)29-11-15-5-7-18(27)8-6-15;1-22(2,3)32-17(29)11-28-19-13(9-16(23)18(25)27-19)8-15(21(28)31)20(30)26-10-12-4-6-14(24)7-5-12;1-28-10-14(9-26-28)16-6-13-7-17(21(32)25-8-12-2-4-15(23)5-3-12)22(33)29(11-18(30)31)20(13)27-19(16)24;1-22(2,3)31-18(28)12-27-19-14(6-9-17(24)26-19)10-16(21(27)30)20(29)25-11-13-4-7-15(23)8-5-13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-4(6)2-5-3-4/h3-8,10-11,38H,9,12-14H2,1-2H3,(H2,28,31)(H,29,36);5-10,12-13H,11,14H2,1-4H3,(H2,28,31)(H,29,35);4-9H,10-11H2,1-3H3,(H2,25,27)(H,26,30);2-7,9-10H,8,11H2,1H3,(H2,24,27)(H,25,32)(H,30,31);4-10H,11-12H2,1-3H3,(H2,24,26)(H,25,29);6-7H,1-5H3;5-6H,2-3H2,1H3.
What are the key properties of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2785.76 g/mol, XLogP of 13.54, 29 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 160973079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).