methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate

C23H23F2NO2 — CID 54059693

IUPACmethyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)NC(C(C)C)=C(C)C1c1ccc(F)cc1
InChIInChI=1S/C23H23F2NO2/c1-13(2)21-14(3)19(15-5-9-17(24)10-6-15)20(23(27)28-4)22(26-21)16-7-11-18(25)12-8-16/h5-13,19,26H,1-4H3
InChIKeyLYUHXYTYRRWITD-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.17
Rot. Bonds4

About methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate

methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate (PubChem CID 54059693) has the molecular formula C23H23F2NO2 and a molecular weight of 383.44 g/mol. Its IUPAC name is methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate
PubChem CID54059693
Molecular FormulaC23H23F2NO2
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namemethyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)NC(C(C)C)=C(C)C1c1ccc(F)cc1
InChIInChI=1S/C23H23F2NO2/c1-13(2)21-14(3)19(15-5-9-17(24)10-6-15)20(23(27)28-4)22(26-21)16-7-11-18(25)12-8-16/h5-13,19,26H,1-4H3
InChIKeyLYUHXYTYRRWITD-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate with MolForge

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Related Compounds

Mrs1097
CID 9953766
Dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 726136
Dimethyl 4-(3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 702088
Dimethyl 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 726139
Cyclohexyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2864181
ethyl 5-oxo-2-phenyl-4-(2-phenylethynyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 10668505
Diethyl 4-(2,3-difluorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 46888217
Cyclopentyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2863423
Dimethyl 2-(4-fluorophenyl)-6-methyl-4-(4-toluidino)-3,5-cyclohexadiene-1,3-dicarboxylate
CID 3384009
Cyclohexylmethyl 4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989860
Methyl butanoate;methyl 4-(2-fluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 44318428
CID 46888218
CID 46888218

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate (CID 54059693) is methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate is COC(=O)C1=C(c2ccc(F)cc2)NC(C(C)C)=C(C)C1c1ccc(F)cc1.
What is the InChIKey of methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is LYUHXYTYRRWITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO2/c1-13(2)21-14(3)19(15-5-9-17(24)10-6-15)20(23(27)28-4)22(26-21)16-7-11-18(25)12-8-16/h5-13,19,26H,1-4H3.
What are the key properties of methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate?
methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 383.44 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 54059693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).