(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C116H104Br4F8N28O12 — CID 158449632

IUPAC(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2cc(F)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2cc(F)c(-c3cnc(C)nc3)cc12.Cc1ncc(-c2cc3c(C(=O)C(F)(F)F)nn(CC(=O)N4[C@H](C(=O)Nc5nc(Br)ccc5C)C[C@@]5(C)C[C@@H]45)c3cn2)cn1.Cc1ncc(-c2ccc3c(c2)c(C(=O)C(F)(F)F)nn3CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)cn1
InChIInChI=1S/C30H28BrFN6O3.C29H25BrF3N7O3.C29H27BrFN7O3.C28H24BrF3N8O3/c1-15-5-6-26(31)35-28(15)36-29(41)24-9-30(4)10-25(30)38(24)27(40)14-37-13-21(16(2)39)20-7-19(22(32)8-23(20)37)18-11-33-17(3)34-12-18;1-14-4-7-22(30)36-26(14)37-27(43)20-9-28(3)10-21(28)40(20)23(41)13-39-19-6-5-16(17-11-34-15(2)35-12-17)8-18(19)24(38-39)25(42)29(31,32)33;1-14-5-6-24(30)34-27(14)35-28(41)22-9-29(4)10-23(29)38(22)25(40)13-37-21-8-20(31)18(17-11-32-16(3)33-12-17)7-19(21)26(36-37)15(2)39;1-13-4-5-21(29)36-25(13)37-26(43)18-7-27(3)8-20(27)40(18)22(41)12-39-19-11-35-17(15-9-33-14(2)34-10-15)6-16(19)23(38-39)24(42)28(30,31)32/h5-8,11-13,24-25H,9-10,14H2,1-4H3,(H,35,36,41);4-8,11-12,20-21H,9-10,13H2,1-3H3,(H,36,37,43);5-8,11-12,22-23H,9-10,13H2,1-4H3,(H,34,35,41);4-6,9-11,18,20H,7-8,12H2,1-3H3,(H,36,37,43)/t24-,25+,30-;20-,21+,28-;22-,23+,29-;18-,20+,27-/m0000/s1
InChIKeyHDUZKITYVBHEOV-YWKGBLEHSA-N
MW2553.89 g/mol
LogP19.32
Rot. Bonds24

About (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 158449632) has the molecular formula C116H104Br4F8N28O12 and a molecular weight of 2553.89 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID158449632
Molecular FormulaC116H104Br4F8N28O12
Molecular Weight2553.89 g/mol
Exact Mass2548.50
IUPAC Name(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2cc(F)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2cc(F)c(-c3cnc(C)nc3)cc12.Cc1ncc(-c2cc3c(C(=O)C(F)(F)F)nn(CC(=O)N4[C@H](C(=O)Nc5nc(Br)ccc5C)C[C@@]5(C)C[C@@H]45)c3cn2)cn1.Cc1ncc(-c2ccc3c(c2)c(C(=O)C(F)(F)F)nn3CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)cn1
InChIInChI=1S/C30H28BrFN6O3.C29H25BrF3N7O3.C29H27BrFN7O3.C28H24BrF3N8O3/c1-15-5-6-26(31)35-28(15)36-29(41)24-9-30(4)10-25(30)38(24)27(40)14-37-13-21(16(2)39)20-7-19(22(32)8-23(20)37)18-11-33-17(3)34-12-18;1-14-4-7-22(30)36-26(14)37-27(43)20-9-28(3)10-21(28)40(20)23(41)13-39-19-6-5-16(17-11-34-15(2)35-12-17)8-18(19)24(38-39)25(42)29(31,32)33;1-14-5-6-24(30)34-27(14)35-28(41)22-9-29(4)10-23(29)38(22)25(40)13-37-21-8-20(31)18(17-11-32-16(3)33-12-17)7-19(21)26(36-37)15(2)39;1-13-4-5-21(29)36-25(13)37-26(43)18-7-27(3)8-20(27)40(18)22(41)12-39-19-11-35-17(15-9-33-14(2)34-10-15)6-16(19)23(38-39)24(42)28(30,31)32/h5-8,11-13,24-25H,9-10,14H2,1-4H3,(H,35,36,41);4-8,11-12,20-21H,9-10,13H2,1-3H3,(H,36,37,43);5-8,11-12,22-23H,9-10,13H2,1-4H3,(H,34,35,41);4-6,9-11,18,20H,7-8,12H2,1-3H3,(H,36,37,43)/t24-,25+,30-;20-,21+,28-;22-,23+,29-;18-,20+,27-/m0000/s1
InChIKeyHDUZKITYVBHEOV-YWKGBLEHSA-N
XLogP19.32
TPSA491.88 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.89
LogP ≤ 519.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 158449632) is (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)c1cn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2cc(F)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2cc(F)c(-c3cnc(C)nc3)cc12.Cc1ncc(-c2cc3c(C(=O)C(F)(F)F)nn(CC(=O)N4[C@H](C(=O)Nc5nc(Br)ccc5C)C[C@@]5(C)C[C@@H]45)c3cn2)cn1.Cc1ncc(-c2ccc3c(c2)c(C(=O)C(F)(F)F)nn3CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)cn1.
What is the InChIKey of (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is HDUZKITYVBHEOV-YWKGBLEHSA-N. The full InChI is InChI=1S/C30H28BrFN6O3.C29H25BrF3N7O3.C29H27BrFN7O3.C28H24BrF3N8O3/c1-15-5-6-26(31)35-28(15)36-29(41)24-9-30(4)10-25(30)38(24)27(40)14-37-13-21(16(2)39)20-7-19(22(32)8-23(20)37)18-11-33-17(3)34-12-18;1-14-4-7-22(30)36-26(14)37-27(43)20-9-28(3)10-21(28)40(20)23(41)13-39-19-6-5-16(17-11-34-15(2)35-12-17)8-18(19)24(38-39)25(42)29(31,32)33;1-14-5-6-24(30)34-27(14)35-28(41)22-9-29(4)10-23(29)38(22)25(40)13-37-21-8-20(31)18(17-11-32-16(3)33-12-17)7-19(21)26(36-37)15(2)39;1-13-4-5-21(29)36-25(13)37-26(43)18-7-27(3)8-20(27)40(18)22(41)12-39-19-11-35-17(15-9-33-14(2)34-10-15)6-16(19)23(38-39)24(42)28(30,31)32/h5-8,11-13,24-25H,9-10,14H2,1-4H3,(H,35,36,41);4-8,11-12,20-21H,9-10,13H2,1-3H3,(H,36,37,43);5-8,11-12,22-23H,9-10,13H2,1-4H3,(H,34,35,41);4-6,9-11,18,20H,7-8,12H2,1-3H3,(H,36,37,43)/t24-,25+,30-;20-,21+,28-;22-,23+,29-;18-,20+,27-/m0000/s1.
What are the key properties of (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 2553.89 g/mol, XLogP of 19.32, 24 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 158449632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).