(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one

C27H25BrN2O2 — CID 41145231

IUPAC(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
SMILESCc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C27H25BrN2O2/c1-16(2)18-9-8-17(3)19(12-18)15-30-25-11-10-20(28)13-22(25)27(32,26(30)31)23-14-29-24-7-5-4-6-21(23)24/h4-14,16,29,32H,15H2,1-3H3/t27-/m0/s1
InChIKeyWWSXDKIWIWALRK-MHZLTWQESA-N
MW489.41 g/mol
LogP6.14
Rot. Bonds4

About (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one

(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one (PubChem CID 41145231) has the molecular formula C27H25BrN2O2 and a molecular weight of 489.41 g/mol. Its IUPAC name is (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
PubChem CID41145231
Molecular FormulaC27H25BrN2O2
Molecular Weight489.41 g/mol
Exact Mass488.11
IUPAC Name(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
SMILESCc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C27H25BrN2O2/c1-16(2)18-9-8-17(3)19(12-18)15-30-25-11-10-20(28)13-22(25)27(32,26(30)31)23-14-29-24-7-5-4-6-21(23)24/h4-14,16,29,32H,15H2,1-3H3/t27-/m0/s1
InChIKeyWWSXDKIWIWALRK-MHZLTWQESA-N
XLogP6.14
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5-bromo-1-[(2-bromophenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 41339183
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 1289741
(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
CID 7275526
5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(1-oxo-1-phenylpropan-2-yl)indol-2-one
CID 3611880
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
(3S)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 1425751
5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 3778203
5-bromo-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 3708416
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 3741581
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817
(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 7393991
3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5221445

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one?
The IUPAC name of (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one (CID 41145231) is (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one?
The canonical SMILES for (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one is Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one?
The InChIKey is WWSXDKIWIWALRK-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25BrN2O2/c1-16(2)18-9-8-17(3)19(12-18)15-30-25-11-10-20(28)13-22(25)27(32,26(30)31)23-14-29-24-7-5-4-6-21(23)24/h4-14,16,29,32H,15H2,1-3H3/t27-/m0/s1.
What are the key properties of (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one?
(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one has a molecular weight of 489.41 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one is sourced from PubChem (CID 41145231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).