(1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone

C127H128Br3N21O12 — CID 157405595

IUPAC(1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone
SMILESC=CCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Cc4nc(Br)ccc4C)C[C@@]4(COc5cccc(CC=C)n5)C[C@@H]34)c12.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCC=CCc1cccc(n1)OC[C@@]13C[C@@H](C(=O)Cc4nc(Br)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCC=CCc1cccc(n1)OC[C@@]13C[C@@H](C(=O)Cc4nc(Br)ccc4C)N(C(=O)C2)[C@@H]1C3
InChIInChI=1S/C44H46BrN7O4.C42H42BrN7O4.C41H40BrN7O4/c1-6-8-9-10-13-30-18-31(32-23-46-29(5)47-24-32)19-34-42(28(4)53)50-51(43(30)34)25-41(55)52-36(37(54)20-35-27(3)16-17-39(45)49-35)21-44(22-38(44)52)26-56-40-15-11-14-33(48-40)12-7-2;1-25-14-15-37(43)47-33(25)18-35(52)34-19-42-20-36(42)50(34)39(53)23-49-41-28(10-7-5-4-6-8-11-31-12-9-13-38(46-31)54-24-42)16-29(30-21-44-27(3)45-22-30)17-32(41)40(48-49)26(2)51;1-24-13-14-36(42)46-32(24)17-34(51)33-18-41-19-35(41)49(33)38(52)22-48-40-27(9-6-4-5-7-10-30-11-8-12-37(45-30)53-23-41)15-28(29-20-43-26(3)44-21-29)16-31(40)39(47-48)25(2)50/h6-7,11,14-19,23-24,36,38H,1-2,8-10,12-13,20-22,25-26H2,3-5H3;6,8-9,12-17,21-22,34,36H,4-5,7,10-11,18-20,23-24H2,1-3H3;5,7-8,11-16,20-21,33,35H,4,6,9-10,17-19,22-23H2,1-3H3/t36-,38+,44-;34-,36+,42-;33-,35+,41-/m000/s1
InChIKeyBNRHRYVTRHLYSO-DGZVYINFSA-N
MW2380.27 g/mol
LogP21.23
Rot. Bonds27

About (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone

(1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone (PubChem CID 157405595) has the molecular formula C127H128Br3N21O12 and a molecular weight of 2380.27 g/mol. Its IUPAC name is (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name(1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone
PubChem CID157405595
Molecular FormulaC127H128Br3N21O12
Molecular Weight2380.27 g/mol
Exact Mass2375.76
IUPAC Name(1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone
SMILESC=CCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Cc4nc(Br)ccc4C)C[C@@]4(COc5cccc(CC=C)n5)C[C@@H]34)c12.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCC=CCc1cccc(n1)OC[C@@]13C[C@@H](C(=O)Cc4nc(Br)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCC=CCc1cccc(n1)OC[C@@]13C[C@@H](C(=O)Cc4nc(Br)ccc4C)N(C(=O)C2)[C@@H]1C3
InChIInChI=1S/C44H46BrN7O4.C42H42BrN7O4.C41H40BrN7O4/c1-6-8-9-10-13-30-18-31(32-23-46-29(5)47-24-32)19-34-42(28(4)53)50-51(43(30)34)25-41(55)52-36(37(54)20-35-27(3)16-17-39(45)49-35)21-44(22-38(44)52)26-56-40-15-11-14-33(48-40)12-7-2;1-25-14-15-37(43)47-33(25)18-35(52)34-19-42-20-36(42)50(34)39(53)23-49-41-28(10-7-5-4-6-8-11-31-12-9-13-38(46-31)54-24-42)16-29(30-21-44-27(3)45-22-30)17-32(41)40(48-49)26(2)51;1-24-13-14-36(42)46-32(24)17-34(51)33-18-41-19-35(41)49(33)38(52)22-48-40-27(9-6-4-5-7-10-30-11-8-12-37(45-30)53-23-41)15-28(29-20-43-26(3)44-21-29)16-31(40)39(47-48)25(2)50/h6-7,11,14-19,23-24,36,38H,1-2,8-10,12-13,20-22,25-26H2,3-5H3;6,8-9,12-17,21-22,34,36H,4-5,7,10-11,18-20,23-24H2,1-3H3;5,7-8,11-16,20-21,33,35H,4,6,9-10,17-19,22-23H2,1-3H3/t36-,38+,44-;34-,36+,42-;33-,35+,41-/m000/s1
InChIKeyBNRHRYVTRHLYSO-DGZVYINFSA-N
XLogP21.23
TPSA399.18 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002380.27
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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 (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

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US11053253, Cmp No. T-136
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CID 153306473
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US11053253, Cmp No. T-66
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US11053253, Cmp No. T-80
CID 153306567
US11053253, Cmp No. T-165
CID 153306597
US11053253, Cmp No. T-100
CID 153306674

Frequently Asked Questions

What is the IUPAC name of (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone?
The IUPAC name of (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone (CID 157405595) is (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone is C=CCCCCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Cc4nc(Br)ccc4C)C[C@@]4(COc5cccc(CC=C)n5)C[C@@H]34)c12.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCC=CCc1cccc(n1)OC[C@@]13C[C@@H](C(=O)Cc4nc(Br)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCC=CCc1cccc(n1)OC[C@@]13C[C@@H](C(=O)Cc4nc(Br)ccc4C)N(C(=O)C2)[C@@H]1C3.
What is the InChIKey of (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone?
The InChIKey is BNRHRYVTRHLYSO-DGZVYINFSA-N. The full InChI is InChI=1S/C44H46BrN7O4.C42H42BrN7O4.C41H40BrN7O4/c1-6-8-9-10-13-30-18-31(32-23-46-29(5)47-24-32)19-34-42(28(4)53)50-51(43(30)34)25-41(55)52-36(37(54)20-35-27(3)16-17-39(45)49-35)21-44(22-38(44)52)26-56-40-15-11-14-33(48-40)12-7-2;1-25-14-15-37(43)47-33(25)18-35(52)34-19-42-20-36(42)50(34)39(53)23-49-41-28(10-7-5-4-6-8-11-31-12-9-13-38(46-31)54-24-42)16-29(30-21-44-27(3)45-22-30)17-32(41)40(48-49)26(2)51;1-24-13-14-36(42)46-32(24)17-34(51)33-18-41-19-35(41)49(33)38(52)22-48-40-27(9-6-4-5-7-10-30-11-8-12-37(45-30)53-23-41)15-28(29-20-43-26(3)44-21-29)16-31(40)39(47-48)25(2)50/h6-7,11,14-19,23-24,36,38H,1-2,8-10,12-13,20-22,25-26H2,3-5H3;6,8-9,12-17,21-22,34,36H,4-5,7,10-11,18-20,23-24H2,1-3H3;5,7-8,11-16,20-21,33,35H,4,6,9-10,17-19,22-23H2,1-3H3/t36-,38+,44-;34-,36+,42-;33-,35+,41-/m000/s1.
What are the key properties of (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone?
(1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone has a molecular weight of 2380.27 g/mol, XLogP of 21.23, 27 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,27R,30S)-21-acetyl-30-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaen-25-one;(1S,26R,29S)-20-acetyl-29-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-17-(2-methylpyrimidin-5-yl)-3-oxa-21,22,25,31-tetrazahexacyclo[23.2.2.14,8.115,19.01,26.022,30]hentriaconta-4,6,8(31),10,15(30),16,18,20-octaen-24-one;1-[(1R,3S,5S)-2-[2-[3-acetyl-7-hex-5-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-[(6-prop-2-enyl-2-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 157405595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).