tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid

C219H225BClF14N41O32 — CID 167580591

About tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid

tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid (PubChem CID 167580591) has the molecular formula C219H225BClF14N41O32 and a molecular weight of 4255.70 g/mol. Its IUPAC name is tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid.

Molecular Properties

• Compound Name: tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid
• PubChem CID: 167580591
• Molecular Formula: C219H225BClF14N41O32
• Molecular Weight: 4255.70 g/mol
• Exact Mass: 4252.68
• IUPAC Name: tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid
• SMILES: C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(F)cccc5OC)c(F)c(c34)OC[C@H]2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(F)cccc5OC)c(F)c(c34)OC[C@H]2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(F)cccc5OC)c(F)c(c34)OC[C@H]2C1.COc1cccc(F)c1-c1nc2c3c(nc(=O)n2-c2c(C)ccnc2C(C)C)N2CCCC[C@@H]2COc3c1F.COc1cccc(F)c1-c1nc2c3c(nc(=O)n2-c2c(C)ccnc2C(C)C)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COc3c1F.Cc1ccnc(C(C)C)c1-n1c(=O)nc2c3c(c(F)c(-c4c(O)cccc4F)nc31)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN21.Cc1ccnc(C(C)C)c1-n1c(=O)nc2c3c(c(F)c(Cl)nc31)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN21.OB(O)c1c(O)cccc1F
• InChI: InChI=1S/C33H36F2N6O5.C32H34F2N6O5.3C31H30F2N6O4.C29H29F2N5O3.C26H30ClFN6O4.C6H6BFO3/c1-17(2)25-27(18(3)11-12-36-25)41-30-23-28(24(35)26(37-30)22-20(34)9-8-10-21(22)44-7)45-16-19-15-39(32(43)46-33(4,5)6)13-14-40(19)29(23)38-31(41)42;1-16(2)24-26(17(3)10-11-35-24)40-29-22-27(23(34)25(36-29)21-19(33)8-7-9-20(21)41)44-15-18-14-38(31(43)45-32(4,5)6)12-13-39(18)28(22)37-30(40)42;3*1-6-21(40)37-12-13-38-18(14-37)15-43-28-23-29(38)36-31(41)39(27-17(4)10-11-34-25(27)16(2)3)30(23)35-26(24(28)33)22-19(32)8-7-9-20(22)42-5;1-15(2)23-25(16(3)11-12-32-23)36-28-21-26(22(31)24(33-28)20-18(30)9-7-10-19(20)38-4)39-14-17-8-5-6-13-35(17)27(21)34-29(36)37;1-13(2)18-19(14(3)7-8-29-18)34-23-16-20(17(28)21(27)30-23)37-12-15-11-32(25(36)38-26(4,5)6)9-10-33(15)22(16)31-24(34)35;8-4-2-1-3-5(9)6(4)7(10)11/h8-12,17,19H,13-16H2,1-7H3;7-11,16,18,41H,12-15H2,1-6H3;3*6-11,16,18H,1,12-15H2,2-5H3;7,9-12,15,17H,5-6,8,13-14H2,1-4H3;7-8,13,15H,9-12H2,1-6H3;1-3,9-11H/t19-;4*18-;17-;15-;/m1111111./s1
• InChIKey: HCYFRCAIBJZGSG-MYFIOKHBSA-N
• XLogP: 31.67
• TPSA: 788.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 67
• Rotatable Bonds: 29
• Heavy Atoms: 308
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4255.70
LogP ≤ 5	31.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	67

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid?

The IUPAC name of tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid (CID 167580591) is tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid.

What is the SMILES notation for tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid?

The canonical SMILES for tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid is C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(F)cccc5OC)c(F)c(c34)OC[C@H]2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(F)cccc5OC)c(F)c(c34)OC[C@H]2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(F)cccc5OC)c(F)c(c34)OC[C@H]2C1.COc1cccc(F)c1-c1nc2c3c(nc(=O)n2-c2c(C)ccnc2C(C)C)N2CCCC[C@@H]2COc3c1F.COc1cccc(F)c1-c1nc2c3c(nc(=O)n2-c2c(C)ccnc2C(C)C)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COc3c1F.Cc1ccnc(C(C)C)c1-n1c(=O)nc2c3c(c(F)c(-c4c(O)cccc4F)nc31)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN21.Cc1ccnc(C(C)C)c1-n1c(=O)nc2c3c(c(F)c(Cl)nc31)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN21.OB(O)c1c(O)cccc1F.

What is the InChIKey of tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid?

The InChIKey is HCYFRCAIBJZGSG-MYFIOKHBSA-N. The full InChI is InChI=1S/C33H36F2N6O5.C32H34F2N6O5.3C31H30F2N6O4.C29H29F2N5O3.C26H30ClFN6O4.C6H6BFO3/c1-17(2)25-27(18(3)11-12-36-25)41-30-23-28(24(35)26(37-30)22-20(34)9-8-10-21(22)44-7)45-16-19-15-39(32(43)46-33(4,5)6)13-14-40(19)29(23)38-31(41)42;1-16(2)24-26(17(3)10-11-35-24)40-29-22-27(23(34)25(36-29)21-19(33)8-7-9-20(21)41)44-15-18-14-38(31(43)45-32(4,5)6)12-13-39(18)28(22)37-30(40)42;3*1-6-21(40)37-12-13-38-18(14-37)15-43-28-23-29(38)36-31(41)39(27-17(4)10-11-34-25(27)16(2)3)30(23)35-26(24(28)33)22-19(32)8-7-9-20(22)42-5;1-15(2)23-25(16(3)11-12-32-23)36-28-21-26(22(31)24(33-28)20-18(30)9-7-10-19(20)38-4)39-14-17-8-5-6-13-35(17)27(21)34-29(36)37;1-13(2)18-19(14(3)7-8-29-18)34-23-16-20(17(28)21(27)30-23)37-12-15-11-32(25(36)38-26(4,5)6)9-10-33(15)22(16)31-24(34)35;8-4-2-1-3-5(9)6(4)7(10)11/h8-12,17,19H,13-16H2,1-7H3;7-11,16,18,41H,12-15H2,1-6H3;3*6-11,16,18H,1,12-15H2,2-5H3;7,9-12,15,17H,5-6,8,13-14H2,1-4H3;7-8,13,15H,9-12H2,1-6H3;1-3,9-11H/t19-;4*18-;17-;15-;/m1111111./s1.

What are the key properties of tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid?

tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid has a molecular weight of 4255.70 g/mol, XLogP of 31.67, 29 rotatable bonds, 4 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (7R)-12-chloro-11-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;tert-butyl (7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-16-oxo-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-5-carboxylate;(7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,13,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;tris((7R)-11-fluoro-12-(2-fluoro-6-methoxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one);(2-fluoro-6-hydroxyphenyl)boronic acid is sourced from PubChem (CID 167580591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).