(5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione

C22H23N3O4 — CID 163907065

IUPAC(5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione
SMILESCC[C@]1(C)C(=O)N(c2ccc(Oc3cccc4c3C3CC3CO4)nc2)C(=O)N1C
InChIInChI=1S/C22H23N3O4/c1-4-22(2)20(26)25(21(27)24(22)3)14-8-9-18(23-11-14)29-17-7-5-6-16-19(17)15-10-13(15)12-28-16/h5-9,11,13,15H,4,10,12H2,1-3H3/t13?,15?,22-/m1/s1
InChIKeyQOVSIJVUSYGHAI-KTOLVFLJSA-N
MW393.44 g/mol
LogP3.94
Rot. Bonds4

About (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione

(5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 163907065) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione
PubChem CID163907065
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione
SMILESCC[C@]1(C)C(=O)N(c2ccc(Oc3cccc4c3C3CC3CO4)nc2)C(=O)N1C
InChIInChI=1S/C22H23N3O4/c1-4-22(2)20(26)25(21(27)24(22)3)14-8-9-18(23-11-14)29-17-7-5-6-16-19(17)15-10-13(15)12-28-16/h5-9,11,13,15H,4,10,12H2,1-3H3/t13?,15?,22-/m1/s1
InChIKeyQOVSIJVUSYGHAI-KTOLVFLJSA-N
XLogP3.94
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione
CID 67966851
(5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 152700236
5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 158408774
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
3-[6-[(3-ethyl-3-methyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 123406731
(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 57411186
(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 57411183
2-[(1a-methyl-2,7b-dihydro-1H-cyclopropa[c]chromen-7-yl)oxy]-5-nitropyridine
CID 67966839
(5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione
CID 53241718
5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 76527058
3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
CID 53241113
3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 53241836

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione (CID 163907065) is (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione is CC[C@]1(C)C(=O)N(c2ccc(Oc3cccc4c3C3CC3CO4)nc2)C(=O)N1C.
What is the InChIKey of (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QOVSIJVUSYGHAI-KTOLVFLJSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-22(2)20(26)25(21(27)24(22)3)14-8-9-18(23-11-14)29-17-7-5-6-16-19(17)15-10-13(15)12-28-16/h5-9,11,13,15H,4,10,12H2,1-3H3/t13?,15?,22-/m1/s1.
What are the key properties of (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione?
(5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 393.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-(1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yloxy)-3-pyridinyl]-5-ethyl-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 163907065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).