ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate

C24H23FN2O3 — CID 25110783

IUPACethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C24H23FN2O3/c1-2-30-24(28)22-20(17-8-10-19(25)11-9-17)16-21(18-6-4-3-5-7-18)26-23(22)27-12-14-29-15-13-27/h3-11,16H,2,12-15H2,1H3
InChIKeyHKQTZMGHOJBOMH-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.57
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate (PubChem CID 25110783) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
PubChem CID25110783
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Nameethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C24H23FN2O3/c1-2-30-24(28)22-20(17-8-10-19(25)11-9-17)16-21(18-6-4-3-5-7-18)26-23(22)27-12-14-29-15-13-27/h3-11,16H,2,12-15H2,1H3
InChIKeyHKQTZMGHOJBOMH-UHFFFAOYSA-N
XLogP4.57
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

FG 5893
CID 127728
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CID 44419777
Methyl 3-(4-fluorophenyl)-1-methyl-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419792
Benzyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
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Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate
CID 1489433
5-Cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
CID 1489435
Ethyl 1-benzyl-7-(4-fluorophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2473907
Ethyl 2-[(benzylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 5135847
Ethyl 5-amino-4-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 10091114
Butyl 3-(4-methylpiperazin-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-2-carboxylate
CID 10573127
Ethyl 3-(4-methylpiperazin-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-2-carboxylate
CID 10785570

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate (CID 25110783) is ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N1CCOCC1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The InChIKey is HKQTZMGHOJBOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-2-30-24(28)22-20(17-8-10-19(25)11-9-17)16-21(18-6-4-3-5-7-18)26-23(22)27-12-14-29-15-13-27/h3-11,16H,2,12-15H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25110783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).