(1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione

C108H108Br3N25O15 — CID 157292036

IUPAC(1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione
SMILESCC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(CNC(=O)C(C)(C)C=CCOCc5ccc(Br)nc5NC3=O)C[C@@H]24)c2cnc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(CNC(=O)C(C)(C)CC=CCOCc5ccc(Br)nc5CC3=O)C[C@@H]24)c2cnc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(Cc5nc(no5)C=CCOCc5ccc(Br)nc5CC3=O)C[C@@H]24)c2c(C)cc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C37H39BrN8O5.C36H33BrN8O5.C35H36BrN9O5/c1-21(47)34-25-11-26(24-15-39-22(2)40-16-24)41-17-29(25)45(44-34)18-33(49)46-28-13-37(14-31(37)46)20-42-35(50)36(3,4)9-5-6-10-51-19-23-7-8-32(38)43-27(23)12-30(28)48;1-19-9-23(24-15-38-21(3)39-16-24)10-25-34(20(2)46)42-44(35(19)25)17-33(48)45-27-12-36(13-29(36)45)14-32-41-31(43-50-32)5-4-8-49-18-22-6-7-30(37)40-26(22)11-28(27)47;1-19(46)30-23-10-24(22-13-37-20(2)38-14-22)39-15-26(23)44(43-30)16-29(47)45-25-11-35(12-27(35)45)18-40-33(49)34(3,4)8-5-9-50-17-21-6-7-28(36)41-31(21)42-32(25)48/h5-8,11,15-17,28,31H,9-10,12-14,18-20H2,1-4H3,(H,42,50);4-7,9-10,15-16,27,29H,8,11-14,17-18H2,1-3H3;5-8,10,13-15,25,27H,9,11-12,16-18H2,1-4H3,(H,40,49)(H,41,42,48)/t28-,31+,37-;27-,29+,36-;25-,27+,35-/m000/s1
InChIKeyBAXOEFOJUYPHAD-HXGFLDDFSA-N
MW2235.92 g/mol
LogP12.94
Rot. Bonds12

About (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione

(1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione (PubChem CID 157292036) has the molecular formula C108H108Br3N25O15 and a molecular weight of 2235.92 g/mol. Its IUPAC name is (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione.

Molecular Properties

Compound Name(1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione
PubChem CID157292036
Molecular FormulaC108H108Br3N25O15
Molecular Weight2235.92 g/mol
Exact Mass2231.60
IUPAC Name(1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione
SMILESCC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(CNC(=O)C(C)(C)C=CCOCc5ccc(Br)nc5NC3=O)C[C@@H]24)c2cnc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(CNC(=O)C(C)(C)CC=CCOCc5ccc(Br)nc5CC3=O)C[C@@H]24)c2cnc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(Cc5nc(no5)C=CCOCc5ccc(Br)nc5CC3=O)C[C@@H]24)c2c(C)cc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C37H39BrN8O5.C36H33BrN8O5.C35H36BrN9O5/c1-21(47)34-25-11-26(24-15-39-22(2)40-16-24)41-17-29(25)45(44-34)18-33(49)46-28-13-37(14-31(37)46)20-42-35(50)36(3,4)9-5-6-10-51-19-23-7-8-32(38)43-27(23)12-30(28)48;1-19-9-23(24-15-38-21(3)39-16-24)10-25-34(20(2)46)42-44(35(19)25)17-33(48)45-27-12-36(13-29(36)45)14-32-41-31(43-50-32)5-4-8-49-18-22-6-7-30(37)40-26(22)11-28(27)47;1-19(46)30-23-10-24(22-13-37-20(2)38-14-22)39-15-26(23)44(43-30)16-29(47)45-25-11-35(12-27(35)45)18-40-33(49)34(3,4)8-5-9-50-17-21-6-7-28(36)41-31(21)42-32(25)48/h5-8,11,15-17,28,31H,9-10,12-14,18-20H2,1-4H3,(H,42,50);4-7,9-10,15-16,27,29H,8,11-14,17-18H2,1-3H3;5-8,10,13-15,25,27H,9,11-12,16-18H2,1-4H3,(H,40,49)(H,41,42,48)/t28-,31+,37-;27-,29+,36-;25-,27+,35-/m000/s1
InChIKeyBAXOEFOJUYPHAD-HXGFLDDFSA-N
XLogP12.94
TPSA495.44 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds12
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002235.92
LogP ≤ 512.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione?
The IUPAC name of (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione (CID 157292036) is (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione.
What is the SMILES notation for (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione?
The canonical SMILES for (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione is CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(CNC(=O)C(C)(C)C=CCOCc5ccc(Br)nc5NC3=O)C[C@@H]24)c2cnc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(CNC(=O)C(C)(C)CC=CCOCc5ccc(Br)nc5CC3=O)C[C@@H]24)c2cnc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]4(Cc5nc(no5)C=CCOCc5ccc(Br)nc5CC3=O)C[C@@H]24)c2c(C)cc(-c3cnc(C)nc3)cc12.
What is the InChIKey of (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione?
The InChIKey is BAXOEFOJUYPHAD-HXGFLDDFSA-N. The full InChI is InChI=1S/C37H39BrN8O5.C36H33BrN8O5.C35H36BrN9O5/c1-21(47)34-25-11-26(24-15-39-22(2)40-16-24)41-17-29(25)45(44-34)18-33(49)46-28-13-37(14-31(37)46)20-42-35(50)36(3,4)9-5-6-10-51-19-23-7-8-32(38)43-27(23)12-30(28)48;1-19-9-23(24-15-38-21(3)39-16-24)10-25-34(20(2)46)42-44(35(19)25)17-33(48)45-27-12-36(13-29(36)45)14-32-41-31(43-50-32)5-4-8-49-18-22-6-7-30(37)40-26(22)11-28(27)47;1-19(46)30-23-10-24(22-13-37-20(2)38-14-22)39-15-26(23)44(43-30)16-29(47)45-25-11-35(12-27(35)45)18-40-33(49)34(3,4)8-5-9-50-17-21-6-7-28(36)41-31(21)42-32(25)48/h5-8,11,15-17,28,31H,9-10,12-14,18-20H2,1-4H3,(H,42,50);4-7,9-10,15-16,27,29H,8,11-14,17-18H2,1-3H3;5-8,10,13-15,25,27H,9,11-12,16-18H2,1-4H3,(H,40,49)(H,41,42,48)/t28-,31+,37-;27-,29+,36-;25-,27+,35-/m000/s1.
What are the key properties of (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione?
(1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione has a molecular weight of 2235.92 g/mol, XLogP of 12.94, 12 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,20S,22R)-21-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-15-bromo-4,10-dioxa-5,16,21,25-tetrazapentacyclo[18.3.1.13,6.01,22.012,17]pentacosa-3(25),5,7,12(17),13,15-hexaen-19-one;(1R,19S,21R)-20-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-14-bromo-5,5-dimethyl-9-oxa-3,15,17,20-tetrazatetracyclo[17.3.1.01,21.011,16]tricosa-6,11(16),12,14-tetraene-4,18-dione;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-dimethyl-10-oxa-3,16,21-triazatetracyclo[18.3.1.01,22.012,17]tetracosa-7,12(17),13,15-tetraene-4,19-dione is sourced from PubChem (CID 157292036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).