methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate

C23H24FN3O3 — CID 59988531

IUPACmethyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1CCN1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-29-23(28)22-21(18-2-4-19(24)5-3-18)20(17-6-8-25-9-7-17)16-27(22)11-10-26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3
InChIKeyUDYZQXKNLTYAMX-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.47
Rot. Bonds6

About methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate

methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate (PubChem CID 59988531) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate
PubChem CID59988531
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Namemethyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1CCN1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-29-23(28)22-21(18-2-4-19(24)5-3-18)20(17-6-8-25-9-7-17)16-27(22)11-10-26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3
InChIKeyUDYZQXKNLTYAMX-UHFFFAOYSA-N
XLogP3.47
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate (CID 59988531) is methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1CCN1CCOCC1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is UDYZQXKNLTYAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-29-23(28)22-21(18-2-4-19(24)5-3-18)20(17-6-8-25-9-7-17)16-27(22)11-10-26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 59988531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).