propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate

C23H28F3NO6 — CID 67832816

IUPACpropan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate
SMILESCC1=C(OC(=O)OC(C)C)C(c2ccc(C(F)(F)F)cc2)C(OC(=O)OC(C)C)=C(C)N1C
InChIInChI=1S/C23H28F3NO6/c1-12(2)30-21(28)32-19-14(5)27(7)15(6)20(33-22(29)31-13(3)4)18(19)16-8-10-17(11-9-16)23(24,25)26/h8-13,18H,1-7H3
InChIKeyBIVSRUPPZYAUEZ-UHFFFAOYSA-N
MW471.47 g/mol
LogP6.32
Rot. Bonds5

About propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate

propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate (PubChem CID 67832816) has the molecular formula C23H28F3NO6 and a molecular weight of 471.47 g/mol. Its IUPAC name is propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate.

Molecular Properties

Compound Namepropan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate
PubChem CID67832816
Molecular FormulaC23H28F3NO6
Molecular Weight471.47 g/mol
Exact Mass471.19
IUPAC Namepropan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate
SMILESCC1=C(OC(=O)OC(C)C)C(c2ccc(C(F)(F)F)cc2)C(OC(=O)OC(C)C)=C(C)N1C
InChIInChI=1S/C23H28F3NO6/c1-12(2)30-21(28)32-19-14(5)27(7)15(6)20(33-22(29)31-13(3)4)18(19)16-8-10-17(11-9-16)23(24,25)26/h8-13,18H,1-7H3
InChIKeyBIVSRUPPZYAUEZ-UHFFFAOYSA-N
XLogP6.32
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate 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

[5-Carboxyoxy-4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 17821756
prop-2-enyl [1,2,6-trimethyl-5-prop-2-enoxycarbonyloxy-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate
CID 17882804
Methyl [2,5,6-trimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] carbonate
CID 17882808
[2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 17882922
[5-Ethoxycarbonyloxy-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 21615156
[1-cyclopropyl-5-methoxycarbonyloxy-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] methyl carbonate
CID 21694552
[1-cyclopropyl-5-ethoxycarbonyloxy-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate
CID 21694553
[5-methoxycarbonyloxy-1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] 3-methylbutan-2-yl carbonate
CID 21694554
[5-methoxycarbonyloxy-1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] methyl carbonate
CID 21694555
[5-Ethoxycarbonyloxy-4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 21694556
[1-ethyl-2,6-dimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] 2-methoxyethyl carbonate
CID 21803582
[4-(4-fluorophenyl)-5-(2-methoxyethoxycarbonyloxy)-1,2,6-trimethyl-4H-pyridin-3-yl] propan-2-yl carbonate
CID 21803587

Frequently Asked Questions

What is the IUPAC name of propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate?
The IUPAC name of propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate (CID 67832816) is propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate.
What is the SMILES notation for propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate?
The canonical SMILES for propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate is CC1=C(OC(=O)OC(C)C)C(c2ccc(C(F)(F)F)cc2)C(OC(=O)OC(C)C)=C(C)N1C.
What is the InChIKey of propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate?
The InChIKey is BIVSRUPPZYAUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3NO6/c1-12(2)30-21(28)32-19-14(5)27(7)15(6)20(33-22(29)31-13(3)4)18(19)16-8-10-17(11-9-16)23(24,25)26/h8-13,18H,1-7H3.
What are the key properties of propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate?
propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate has a molecular weight of 471.47 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl [1,2,6-trimethyl-5-propan-2-yloxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate is sourced from PubChem (CID 67832816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).