6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C46H54Br2N6O7 — CID 158617217

IUPAC6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4nn(C)cc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.Cn1cc2c(O)cc(Br)cc2n1
InChIInChI=1S/C23H26BrN3O3.C15H21NO3.C8H7BrN2O/c1-14(16-5-7-19(29-4)8-6-16)27-12-17(9-23(27)28)15(2)30-22-11-18(24)10-21-20(22)13-26(3)25-21;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;1-11-4-6-7(10-11)2-5(9)3-8(6)12/h5-8,10-11,13-15,17H,9,12H2,1-4H3;4-7,10-11,13,17H,8-9H2,1-3H3;2-4,12H,1H3/t14-,15+,17+;10-,11-,13+;/m00./s1
InChIKeyHXNRCAPUJPAGLZ-YANXAMIASA-N
MW962.78 g/mol
LogP8.75
Rot. Bonds10

About 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 158617217) has the molecular formula C46H54Br2N6O7 and a molecular weight of 962.78 g/mol. Its IUPAC name is 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID158617217
Molecular FormulaC46H54Br2N6O7
Molecular Weight962.78 g/mol
Exact Mass960.24
IUPAC Name6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4nn(C)cc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.Cn1cc2c(O)cc(Br)cc2n1
InChIInChI=1S/C23H26BrN3O3.C15H21NO3.C8H7BrN2O/c1-14(16-5-7-19(29-4)8-6-16)27-12-17(9-23(27)28)15(2)30-22-11-18(24)10-21-20(22)13-26(3)25-21;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;1-11-4-6-7(10-11)2-5(9)3-8(6)12/h5-8,10-11,13-15,17H,9,12H2,1-4H3;4-7,10-11,13,17H,8-9H2,1-3H3;2-4,12H,1H3/t14-,15+,17+;10-,11-,13+;/m00./s1
InChIKeyHXNRCAPUJPAGLZ-YANXAMIASA-N
XLogP8.75
TPSA144.41 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500962.78
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126664233
(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126664234
(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126681021
(4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 175135442
(4R)-4-[(1R)-1-(6-bromo-2-methyl-indazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 118386405
(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126664271
4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126664272
(4R)-4-[1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 156143298
(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157644591
(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;6-bromo-4-fluoro-2,3-dimethylindazole;(4R)-4-[(1R)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 157869661
tert-butyl (3S)-3-[[6-bromo-1-(oxan-2-yl)indazol-4-yl]oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]pyrrolidine-1-carboxylate;(4-hydroxyphenyl)boronic acid
CID 158216840
6-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl (3S)-3-[6-bromo-1-(oxan-2-yl)indazol-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
CID 158271551

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 158617217) is 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4nn(C)cc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.Cn1cc2c(O)cc(Br)cc2n1.
What is the InChIKey of 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is HXNRCAPUJPAGLZ-YANXAMIASA-N. The full InChI is InChI=1S/C23H26BrN3O3.C15H21NO3.C8H7BrN2O/c1-14(16-5-7-19(29-4)8-6-16)27-12-17(9-23(27)28)15(2)30-22-11-18(24)10-21-20(22)13-26(3)25-21;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;1-11-4-6-7(10-11)2-5(9)3-8(6)12/h5-8,10-11,13-15,17H,9,12H2,1-4H3;4-7,10-11,13,17H,8-9H2,1-3H3;2-4,12H,1H3/t14-,15+,17+;10-,11-,13+;/m00./s1.
What are the key properties of 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 962.78 g/mol, XLogP of 8.75, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 158617217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).