(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

C25H21N3O3 — CID 155378090

IUPAC(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccnc1
InChIInChI=1S/C25H21N3O3/c29-23(18-6-5-12-26-15-18)14-25(31)20-8-2-4-10-22(20)28(24(25)30)13-11-17-16-27-21-9-3-1-7-19(17)21/h1-10,12,15-16,27,31H,11,13-14H2/t25-/m1/s1
InChIKeySOHIFBIHHUTIIQ-RUZDIDTESA-N
MW411.46 g/mol
LogP3.61
Rot. Bonds6

About (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (PubChem CID 155378090) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
PubChem CID155378090
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccnc1
InChIInChI=1S/C25H21N3O3/c29-23(18-6-5-12-26-15-18)14-25(31)20-8-2-4-10-22(20)28(24(25)30)13-11-17-16-27-21-9-3-1-7-19(17)21/h1-10,12,15-16,27,31H,11,13-14H2/t25-/m1/s1
InChIKeySOHIFBIHHUTIIQ-RUZDIDTESA-N
XLogP3.61
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (CID 155378090) is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccnc1.
What is the InChIKey of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The InChIKey is SOHIFBIHHUTIIQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23(18-6-5-12-26-15-18)14-25(31)20-8-2-4-10-22(20)28(24(25)30)13-11-17-16-27-21-9-3-1-7-19(17)21/h1-10,12,15-16,27,31H,11,13-14H2/t25-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one has a molecular weight of 411.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is sourced from PubChem (CID 155378090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).