ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate

C22H23N3O3 — CID 68945690

IUPACethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(26)19-15-20(16-6-8-23-9-7-16)24-21(19)17-4-3-5-18(14-17)25-10-12-27-13-11-25/h3-9,14-15,24H,2,10-13H2,1H3
InChIKeyGFANNAZXYRTJSP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.76
Rot. Bonds5

About ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate

ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate (PubChem CID 68945690) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
PubChem CID68945690
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(26)19-15-20(16-6-8-23-9-7-16)24-21(19)17-4-3-5-18(14-17)25-10-12-27-13-11-25/h3-9,14-15,24H,2,10-13H2,1H3
InChIKeyGFANNAZXYRTJSP-UHFFFAOYSA-N
XLogP3.76
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carboxylate
CID 3851499
ethyl 5-[4-(dimethylamino)phenyl]-2-phenyl-1H-pyrrole-3-carboxylate
CID 170695559
2-(3-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809725
ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
CID 165453183
ethyl 5-[3-(4-methylpiperazin-1-yl)phenyl]-2H-triazole-4-carboxylate
CID 169401471
ethyl 2-(3-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate
CID 170695547
ethyl 2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 170695775
ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 69184204
ethyl 5-(2-hydroxy-4-morpholin-4-ylphenyl)-2H-triazole-4-carboxylate
CID 169400304
ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 139881750
ethyl 2-[(2S)-2-amino-3-methylbutyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylate;dihydrochloride
CID 69181528
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate (CID 68945690) is ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(N2CCOCC2)c1.
What is the InChIKey of ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The InChIKey is GFANNAZXYRTJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-22(26)19-15-20(16-6-8-23-9-7-16)24-21(19)17-4-3-5-18(14-17)25-10-12-27-13-11-25/h3-9,14-15,24H,2,10-13H2,1H3.
What are the key properties of ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 68945690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).