2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid

C171H173BBrF2N29O19 — CID 165104768

About 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid

2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid (PubChem CID 165104768) has the molecular formula C171H173BBrF2N29O19 and a molecular weight of 3067.16 g/mol. Its IUPAC name is 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid.

Molecular Properties

• Compound Name: 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid
• PubChem CID: 165104768
• Molecular Formula: C171H173BBrF2N29O19
• Molecular Weight: 3067.16 g/mol
• Exact Mass: 3064.27
• IUPAC Name: 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid
• SMILES: CC1Cc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)CN1.CC1Cc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)CN1C(=O)OC(C)(C)C.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CNC(C)C3)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1ccc(Cn2cc(Cc3ccccc3)c(CC(=O)c3cc(C)ncc3F)n2)cc1.Cc1cc(C(=O)Cc2[nH]ncc2Cc2ccccc2)c(F)cn1.Cc1cc(C(=O)O)ccc1Br.Cc1cc2c(=O)[nH]c3c(Cc4ccccc4)cnn3c2cn1
• InChI: InChI=1S/C30H33N5O4.C26H24FN3O2.C25H25N5O2.C22H26N4O3.C18H16FN3O.C17H18N4O.C17H14N4O.C8H10BNO3.C8H7BrO2/c1-19-15-24-25(18-33(19)29(38)39-30(2,3)4)35-27(22(17-32-35)16-20-9-7-6-8-10-20)34(28(24)37)23-13-11-21(12-14-23)26(36)31-5;1-18-12-23(24(27)15-28-18)26(31)14-25-21(13-19-6-4-3-5-7-19)17-30(29-25)16-20-8-10-22(32-2)11-9-20;1-16-12-21-22(15-27-16)30-24(19(14-28-30)13-17-6-4-3-5-7-17)29(25(21)32)20-10-8-18(9-11-20)23(31)26-2;1-14-10-17-18(13-25(14)21(28)29-22(2,3)4)26-19(24-20(17)27)16(12-23-26)11-15-8-6-5-7-9-15;1-12-7-15(16(19)11-20-12)18(23)9-17-14(10-21-22-17)8-13-5-3-2-4-6-13;2*1-11-7-14-15(10-18-11)21-16(20-17(14)22)13(9-19-21)8-12-5-3-2-4-6-12;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-5-4-6(8(10)11)2-3-7(5)9/h6-14,17,19H,15-16,18H2,1-5H3,(H,31,36);3-12,15,17H,13-14,16H2,1-2H3;3-11,14,16,27H,12-13,15H2,1-2H3,(H,26,31);5-9,12,14H,10-11,13H2,1-4H3,(H,24,27);2-7,10-11H,8-9H2,1H3,(H,21,22);2-6,9,11,18H,7-8,10H2,1H3,(H,20,22);2-7,9-10H,8H2,1H3,(H,20,22);2-5,12-13H,1H3,(H,10,11);2-4H,1H3,(H,10,11)
• InChIKey: YYCBWBTWIVACAQ-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 605.82 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3067.16
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid?

The IUPAC name of 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid (CID 165104768) is 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid.

What is the SMILES notation for 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid?

The canonical SMILES for 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid is CC1Cc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)CN1.CC1Cc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)CN1C(=O)OC(C)(C)C.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CNC(C)C3)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1ccc(Cn2cc(Cc3ccccc3)c(CC(=O)c3cc(C)ncc3F)n2)cc1.Cc1cc(C(=O)Cc2[nH]ncc2Cc2ccccc2)c(F)cn1.Cc1cc(C(=O)O)ccc1Br.Cc1cc2c(=O)[nH]c3c(Cc4ccccc4)cnn3c2cn1.

What is the InChIKey of 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid?

The InChIKey is YYCBWBTWIVACAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4.C26H24FN3O2.C25H25N5O2.C22H26N4O3.C18H16FN3O.C17H18N4O.C17H14N4O.C8H10BNO3.C8H7BrO2/c1-19-15-24-25(18-33(19)29(38)39-30(2,3)4)35-27(22(17-32-35)16-20-9-7-6-8-10-20)34(28(24)37)23-13-11-21(12-14-23)26(36)31-5;1-18-12-23(24(27)15-28-18)26(31)14-25-21(13-19-6-4-3-5-7-19)17-30(29-25)16-20-8-10-22(32-2)11-9-20;1-16-12-21-22(15-27-16)30-24(19(14-28-30)13-17-6-4-3-5-7-17)29(25(21)32)20-10-8-18(9-11-20)23(31)26-2;1-14-10-17-18(13-25(14)21(28)29-22(2,3)4)26-19(24-20(17)27)16(12-23-26)11-15-8-6-5-7-9-15;1-12-7-15(16(19)11-20-12)18(23)9-17-14(10-21-22-17)8-13-5-3-2-4-6-13;2*1-11-7-14-15(10-18-11)21-16(20-17(14)22)13(9-19-21)8-12-5-3-2-4-6-12;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-5-4-6(8(10)11)2-3-7(5)9/h6-14,17,19H,15-16,18H2,1-5H3,(H,31,36);3-12,15,17H,13-14,16H2,1-2H3;3-11,14,16,27H,12-13,15H2,1-2H3,(H,26,31);5-9,12,14H,10-11,13H2,1-4H3,(H,24,27);2-7,10-11H,8-9H2,1H3,(H,21,22);2-6,9,11,18H,7-8,10H2,1H3,(H,20,22);2-7,9-10H,8H2,1H3,(H,20,22);2-5,12-13H,1H3,(H,10,11);2-4H,1H3,(H,10,11).

What are the key properties of 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid?

2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid has a molecular weight of 3067.16 g/mol, XLogP of 23.25, 30 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-(5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)-N-methylbenzamide;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-(4-benzyl-1H-pyrazol-5-yl)-1-(5-fluoro-2-methyl-4-pyridinyl)ethanone;4-bromo-3-methylbenzoic acid;tert-butyl 5-benzyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;[4-(methylcarbamoyl)phenyl]boronic acid is sourced from PubChem (CID 165104768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).