[1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate

C24H28F3NO6 — CID 67832823

IUPAC[1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate
SMILESCCCOC(=O)OC1=C(C)N(C2CC2)C(C)=C(OC(=O)OCC)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H28F3NO6/c1-5-13-32-23(30)34-21-15(4)28(18-11-12-18)14(3)20(33-22(29)31-6-2)19(21)16-7-9-17(10-8-16)24(25,26)27/h7-10,18-19H,5-6,11-13H2,1-4H3
InChIKeyYYOUTRKKXYNJOO-UHFFFAOYSA-N
MW483.48 g/mol
LogP6.47
Rot. Bonds7

About [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate

[1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate (PubChem CID 67832823) has the molecular formula C24H28F3NO6 and a molecular weight of 483.48 g/mol. Its IUPAC name is [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate
PubChem CID67832823
Molecular FormulaC24H28F3NO6
Molecular Weight483.48 g/mol
Exact Mass483.19
IUPAC Name[1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate
SMILESCCCOC(=O)OC1=C(C)N(C2CC2)C(C)=C(OC(=O)OCC)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H28F3NO6/c1-5-13-32-23(30)34-21-15(4)28(18-11-12-18)14(3)20(33-22(29)31-6-2)19(21)16-7-9-17(10-8-16)24(25,26)27/h7-10,18-19H,5-6,11-13H2,1-4H3
InChIKeyYYOUTRKKXYNJOO-UHFFFAOYSA-N
XLogP6.47
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate with MolForge

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Related Compounds

diethyl 1-cyclopropyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 15170369
ethyl 3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 5205923
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
diethyl 2-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 71575871
ethyl 3-[5-oxo-3-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propanoate
CID 54076639
dimethyl 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 1073796
[3-(4-fluorophenyl)-2-methoxycarbonyloxy-5-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,4-dien-1-yl] methyl carbonate
CID 70270174
ethyl 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
CID 129319443
ethyl 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 22064077
ethyl 2-amino-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
CID 135035188
ethyl (2S,3R)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate
CID 102056771
dimethyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2167221

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate?
The IUPAC name of [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate (CID 67832823) is [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate.
What is the SMILES notation for [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate?
The canonical SMILES for [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate is CCCOC(=O)OC1=C(C)N(C2CC2)C(C)=C(OC(=O)OCC)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate?
The InChIKey is YYOUTRKKXYNJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3NO6/c1-5-13-32-23(30)34-21-15(4)28(18-11-12-18)14(3)20(33-22(29)31-6-2)19(21)16-7-9-17(10-8-16)24(25,26)27/h7-10,18-19H,5-6,11-13H2,1-4H3.
What are the key properties of [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate?
[1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate has a molecular weight of 483.48 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate is sourced from PubChem (CID 67832823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).