tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate

C151H194BrClN28O28 — CID 157343627

About tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate

tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate (PubChem CID 157343627) has the molecular formula C151H194BrClN28O28 and a molecular weight of 2964.74 g/mol. Its IUPAC name is tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate
• PubChem CID: 157343627
• Molecular Formula: C151H194BrClN28O28
• Molecular Weight: 2964.74 g/mol
• Exact Mass: 2961.35
• IUPAC Name: tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate
• SMILES: C.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)N1CCNCc2cccc(n2)CNCC1.COC(=O)c1cccc(CCl)n1.COC(=O)c1cccc(CN2CCCCCN(Cc3cccc(C)n3)Cc3cccc(n3)C2)n1.COC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CCN(Cc3cccc(C)n3)Cc3cccc(n3)C2)n1.COC(=O)c1cccc(CN2CCN(CC(=O)OC(C)(C)C)CCN(Cc3cccc(C)n3)Cc3cccc(n3)C2)n1.O=C(O)CN1CCN(Cc2ccccn2)Cc2cccc(n2)CN(Cc2cccc(C(=O)O)n2)CC1.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C32H42N6O4.C31H40N6O4.C27H33N5O2.C26H30N6O4.C16H26N4O2.C8H8ClNO2.C6H11BrO2.4CO2.CH4/c1-24-9-6-10-25(33-24)19-37-17-15-36(23-30(39)42-32(2,3)4)16-18-38(21-27-12-7-11-26(20-37)34-27)22-28-13-8-14-29(35-28)31(40)41-5;1-23-9-6-10-24(32-23)19-35-15-17-37(30(39)41-31(2,3)4)18-16-36(21-26-12-7-11-25(20-35)33-26)22-27-13-8-14-28(34-27)29(38)40-5;1-21-9-6-10-22(28-21)17-31-15-4-3-5-16-32(19-24-12-7-11-23(18-31)29-24)20-25-13-8-14-26(30-25)27(33)34-2;33-25(34)19-30-11-13-31(15-20-5-1-2-10-27-20)16-21-6-3-7-22(28-21)17-32(14-12-30)18-23-8-4-9-24(29-23)26(35)36;1-16(2,3)22-15(21)20-9-7-17-11-13-5-4-6-14(19-13)12-18-8-10-20;1-12-8(11)7-4-2-3-6(5-9)10-7;1-6(2,3)9-5(8)4-7;4*2-1-3;/h6-14H,15-23H2,1-5H3;6-14H,15-22H2,1-5H3;6-14H,3-5,15-20H2,1-2H3;1-10H,11-19H2,(H,33,34)(H,35,36);4-6,17-18H,7-12H2,1-3H3;2-4H,5H2,1H3;4H2,1-3H3;;;;;1H4
• InChIKey: BGRQTWIZFZZSQY-UHFFFAOYSA-N
• XLogP: 17.12
• TPSA: 664.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 52
• Rotatable Bonds: 27
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2964.74
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate?

The IUPAC name of tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate (CID 157343627) is tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate.

What is the SMILES notation for tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate?

The canonical SMILES for tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate is C.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)N1CCNCc2cccc(n2)CNCC1.COC(=O)c1cccc(CCl)n1.COC(=O)c1cccc(CN2CCCCCN(Cc3cccc(C)n3)Cc3cccc(n3)C2)n1.COC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CCN(Cc3cccc(C)n3)Cc3cccc(n3)C2)n1.COC(=O)c1cccc(CN2CCN(CC(=O)OC(C)(C)C)CCN(Cc3cccc(C)n3)Cc3cccc(n3)C2)n1.O=C(O)CN1CCN(Cc2ccccn2)Cc2cccc(n2)CN(Cc2cccc(C(=O)O)n2)CC1.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate?

The InChIKey is BGRQTWIZFZZSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O4.C31H40N6O4.C27H33N5O2.C26H30N6O4.C16H26N4O2.C8H8ClNO2.C6H11BrO2.4CO2.CH4/c1-24-9-6-10-25(33-24)19-37-17-15-36(23-30(39)42-32(2,3)4)16-18-38(21-27-12-7-11-26(20-37)34-27)22-28-13-8-14-29(35-28)31(40)41-5;1-23-9-6-10-24(32-23)19-35-15-17-37(30(39)41-31(2,3)4)18-16-36(21-26-12-7-11-25(20-35)33-26)22-27-13-8-14-28(34-27)29(38)40-5;1-21-9-6-10-22(28-21)17-31-15-4-3-5-16-32(19-24-12-7-11-23(18-31)29-24)20-25-13-8-14-26(30-25)27(33)34-2;33-25(34)19-30-11-13-31(15-20-5-1-2-10-27-20)16-21-6-3-7-22(28-21)17-32(14-12-30)18-23-8-4-9-24(29-23)26(35)36;1-16(2,3)22-15(21)20-9-7-17-11-13-5-4-6-14(19-13)12-18-8-10-20;1-12-8(11)7-4-2-3-6(5-9)10-7;1-6(2,3)9-5(8)4-7;4*2-1-3;/h6-14H,15-23H2,1-5H3;6-14H,15-22H2,1-5H3;6-14H,3-5,15-20H2,1-2H3;1-10H,11-19H2,(H,33,34)(H,35,36);4-6,17-18H,7-12H2,1-3H3;2-4H,5H2,1H3;4H2,1-3H3;;;;;1H4.

What are the key properties of tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate?

tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate has a molecular weight of 2964.74 g/mol, XLogP of 17.12, 27 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-bromoacetate;tert-butyl 3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;tetrakis(carbon dioxide);6-[[6-(carboxymethyl)-9-(pyridin-2-ylmethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylic acid;methane;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[9-[(6-methyl-2-pyridinyl)methyl]-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 157343627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).