ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate

C19H17FN2O2 — CID 139928300

IUPACethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H17FN2O2/c1-3-24-19(23)16-12(2)22-18(14-4-6-15(20)7-5-14)17(16)13-8-10-21-11-9-13/h4-11,22H,3H2,1-2H3
InChIKeyPTYFUULZZTWPME-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.37
Rot. Bonds4

About ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate

ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate (PubChem CID 139928300) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate
PubChem CID139928300
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Nameethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H17FN2O2/c1-3-24-19(23)16-12(2)22-18(14-4-6-15(20)7-5-14)17(16)13-8-10-21-11-9-13/h4-11,22H,3H2,1-2H3
InChIKeyPTYFUULZZTWPME-UHFFFAOYSA-N
XLogP4.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate 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

Tropisetron
CID 656665
Tropisetron hydrochloride
CID 656664
Methyl indole-3-carboxylate
CID 589098
SB 203186
CID 3272300
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
Ethyl 2-methyl-4-phenyl-1h-pyrrole-3-carboxylate
CID 230431
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
1-Piperidinylethyl-1H-indole-3-carboxylate hydrochloride
CID 9926639
Nortropisetron
CID 10199314
(3Z)-5-fluoro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331087
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
1H-indole-3-carboxylic acid 1-(3-carboxy-propyl)-piperidin-4-ylmethyl ester
CID 53318069

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate (CID 139928300) is ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The InChIKey is PTYFUULZZTWPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-3-24-19(23)16-12(2)22-18(14-4-6-15(20)7-5-14)17(16)13-8-10-21-11-9-13/h4-11,22H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 139928300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).