2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

C127H154Br4N20O21 — CID 157211210

IUPAC2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESC=CCCC(=O)NCC12CC1N(C(=O)OC(C)(C)C)[C@H](C(=O)Cc1nc(Br)ccc1COCC=C)C2.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@](C)(CNC(=O)CCC=CCOCc4ccc(Br)nc4CC3=O)[C@H]2C)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12.C[C@H]1N(C(=O)OC(C)(C)C)[C@H]2C[C@]1(C)CNC(=O)CCC=CCOCc1ccc(Br)nc1CC2=O.C[C@H]1N[C@H]2C[C@]1(C)CNC(=O)CCC=CCOCc1ccc(Br)nc1CC2=O
InChIInChI=1S/C37H40BrN7O5.C27H36BrN3O5.C26H36BrN3O5.C21H28BrN3O3.C16H14N4O3/c1-22(46)36-28-14-25(27-17-39-24(3)40-18-27)9-11-30(28)44(43-36)19-35(49)45-23(2)37(4)16-31(45)32(47)15-29-26(10-12-33(38)42-29)20-50-13-7-5-6-8-34(48)41-21-37;1-6-8-9-24(33)29-17-27-14-20(31(22(27)15-27)25(34)36-26(3,4)5)21(32)13-19-18(16-35-12-7-2)10-11-23(28)30-19;1-17-26(5)14-20(30(17)24(33)35-25(2,3)4)21(31)13-19-18(10-11-22(27)29-19)15-34-12-8-6-7-9-23(32)28-16-26;1-14-21(2)11-17(24-14)18(26)10-16-15(7-8-19(22)25-16)12-28-9-5-3-4-6-20(27)23-13-21;1-9(21)16-13-5-11(12-6-17-10(2)18-7-12)3-4-14(13)20(19-16)8-15(22)23/h5,7,9-12,14,17-18,23,31H,6,8,13,15-16,19-21H2,1-4H3,(H,41,48);6-7,10-11,20,22H,1-2,8-9,12-17H2,3-5H3,(H,29,33);6,8,10-11,17,20H,7,9,12-16H2,1-5H3,(H,28,32);3,5,7-8,14,17,24H,4,6,9-13H2,1-2H3,(H,23,27);3-7H,8H2,1-2H3,(H,22,23)/t23-,31+,37-;20-,22?,27?;17-,20+,26-;14-,17+,21-;/m1011./s1
InChIKeyARXGOTPPUMMUOG-HTOMSHKRSA-N
MW2616.36 g/mol
LogP18.59
Rot. Bonds20

About 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate (PubChem CID 157211210) has the molecular formula C127H154Br4N20O21 and a molecular weight of 2616.36 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate.

Molecular Properties

Compound Name2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
PubChem CID157211210
Molecular FormulaC127H154Br4N20O21
Molecular Weight2616.36 g/mol
Exact Mass2610.83
IUPAC Name2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESC=CCCC(=O)NCC12CC1N(C(=O)OC(C)(C)C)[C@H](C(=O)Cc1nc(Br)ccc1COCC=C)C2.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@](C)(CNC(=O)CCC=CCOCc4ccc(Br)nc4CC3=O)[C@H]2C)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12.C[C@H]1N(C(=O)OC(C)(C)C)[C@H]2C[C@]1(C)CNC(=O)CCC=CCOCc1ccc(Br)nc1CC2=O.C[C@H]1N[C@H]2C[C@]1(C)CNC(=O)CCC=CCOCc1ccc(Br)nc1CC2=O
InChIInChI=1S/C37H40BrN7O5.C27H36BrN3O5.C26H36BrN3O5.C21H28BrN3O3.C16H14N4O3/c1-22(46)36-28-14-25(27-17-39-24(3)40-18-27)9-11-30(28)44(43-36)19-35(49)45-23(2)37(4)16-31(45)32(47)15-29-26(10-12-33(38)42-29)20-50-13-7-5-6-8-34(48)41-21-37;1-6-8-9-24(33)29-17-27-14-20(31(22(27)15-27)25(34)36-26(3,4)5)21(32)13-19-18(16-35-12-7-2)10-11-23(28)30-19;1-17-26(5)14-20(30(17)24(33)35-25(2,3)4)21(31)13-19-18(10-11-22(27)29-19)15-34-12-8-6-7-9-23(32)28-16-26;1-14-21(2)11-17(24-14)18(26)10-16-15(7-8-19(22)25-16)12-28-9-5-3-4-6-20(27)23-13-21;1-9(21)16-13-5-11(12-6-17-10(2)18-7-12)3-4-14(13)20(19-16)8-15(22)23/h5,7,9-12,14,17-18,23,31H,6,8,13,15-16,19-21H2,1-4H3,(H,41,48);6-7,10-11,20,22H,1-2,8-9,12-17H2,3-5H3,(H,29,33);6,8,10-11,17,20H,7,9,12-16H2,1-5H3,(H,28,32);3,5,7-8,14,17,24H,4,6,9-13H2,1-2H3,(H,23,27);3-7H,8H2,1-2H3,(H,22,23)/t23-,31+,37-;20-,22?,27?;17-,20+,26-;14-,17+,21-;/m1011./s1
InChIKeyARXGOTPPUMMUOG-HTOMSHKRSA-N
XLogP18.59
TPSA523.22 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002616.36
LogP ≤ 518.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate with MolForge

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Related Compounds

US11053253, Cmp No. T-157
CID 146951337
US11053253, Cmp No. T-173
CID 147400025
US11053253, Cmp No. T-120
CID 152834427
US11053253, Cmp No. T-172
CID 153306510
US11053253, Cmp No. T-89
CID 153306757
US11053253, Cmp No. T-87
CID 156566770
US11053253, Cmp No. T-78
CID 156566840
US11084800, Cpd No. 301
CID 161582522
US11053253, Cmp No. T-77
CID 162678202
US11084800, Cpd No. 242
CID 135317495
US11084800, Cpd No. 70
CID 135317563
US11084800, Cpd No. 165
CID 135318156

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate (CID 157211210) is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate.
What is the SMILES notation for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The canonical SMILES for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate is C=CCCC(=O)NCC12CC1N(C(=O)OC(C)(C)C)[C@H](C(=O)Cc1nc(Br)ccc1COCC=C)C2.CC(=O)c1nn(CC(=O)N2[C@H]3C[C@](C)(CNC(=O)CCC=CCOCc4ccc(Br)nc4CC3=O)[C@H]2C)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12.C[C@H]1N(C(=O)OC(C)(C)C)[C@H]2C[C@]1(C)CNC(=O)CCC=CCOCc1ccc(Br)nc1CC2=O.C[C@H]1N[C@H]2C[C@]1(C)CNC(=O)CCC=CCOCc1ccc(Br)nc1CC2=O.
What is the InChIKey of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The InChIKey is ARXGOTPPUMMUOG-HTOMSHKRSA-N. The full InChI is InChI=1S/C37H40BrN7O5.C27H36BrN3O5.C26H36BrN3O5.C21H28BrN3O3.C16H14N4O3/c1-22(46)36-28-14-25(27-17-39-24(3)40-18-27)9-11-30(28)44(43-36)19-35(49)45-23(2)37(4)16-31(45)32(47)15-29-26(10-12-33(38)42-29)20-50-13-7-5-6-8-34(48)41-21-37;1-6-8-9-24(33)29-17-27-14-20(31(22(27)15-27)25(34)36-26(3,4)5)21(32)13-19-18(16-35-12-7-2)10-11-23(28)30-19;1-17-26(5)14-20(30(17)24(33)35-25(2,3)4)21(31)13-19-18(10-11-22(27)29-19)15-34-12-8-6-7-9-23(32)28-16-26;1-14-21(2)11-17(24-14)18(26)10-16-15(7-8-19(22)25-16)12-28-9-5-3-4-6-20(27)23-13-21;1-9(21)16-13-5-11(12-6-17-10(2)18-7-12)3-4-14(13)20(19-16)8-15(22)23/h5,7,9-12,14,17-18,23,31H,6,8,13,15-16,19-21H2,1-4H3,(H,41,48);6-7,10-11,20,22H,1-2,8-9,12-17H2,3-5H3,(H,29,33);6,8,10-11,17,20H,7,9,12-16H2,1-5H3,(H,28,32);3,5,7-8,14,17,24H,4,6,9-13H2,1-2H3,(H,23,27);3-7H,8H2,1-2H3,(H,22,23)/t23-,31+,37-;20-,22?,27?;17-,20+,26-;14-,17+,21-;/m1011./s1.
What are the key properties of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate has a molecular weight of 2616.36 g/mol, XLogP of 18.59, 20 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate is sourced from PubChem (CID 157211210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).