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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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).