2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C18H18F3N3O3 — CID 167923438

IUPAC2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CC(C(F)(F)F)CCN2C(=O)N1CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)11-4-6-23-15(7-11)16(26)24(17(23)27)5-3-10-9-22-14-2-1-12(25)8-13(10)14/h1-2,8-9,11,15,22,25H,3-7H2
InChIKeyANWUZTPRFHDLLK-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.02
Rot. Bonds3

About 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 167923438) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID167923438
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CC(C(F)(F)F)CCN2C(=O)N1CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)11-4-6-23-15(7-11)16(26)24(17(23)27)5-3-10-9-22-14-2-1-12(25)8-13(10)14/h1-2,8-9,11,15,22,25H,3-7H2
InChIKeyANWUZTPRFHDLLK-UHFFFAOYSA-N
XLogP3.02
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
CID 10848791
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-[4-[3-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19786740
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
CID 70044177
(E)-but-2-enedioic acid;3-(2-piperidin-4-ylethyl)-1H-indol-5-ol
CID 46905307
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 10499546
3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide
CID 175862285
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 167923438) is 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CC(C(F)(F)F)CCN2C(=O)N1CCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is ANWUZTPRFHDLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)11-4-6-23-15(7-11)16(26)24(17(23)27)5-3-10-9-22-14-2-1-12(25)8-13(10)14/h1-2,8-9,11,15,22,25H,3-7H2.
What are the key properties of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 381.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 167923438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).