methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate

C23H18FN3O2 — CID 59988488

IUPACmethyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(-c2ccncc2)n1C
InChIInChI=1S/C23H18FN3O2/c1-27-21(17-9-13-26-14-10-17)19(16-7-11-25-12-8-16)20(22(27)23(28)29-2)15-3-5-18(24)6-4-15/h3-14H,1-2H3
InChIKeyMXFCOJLRXQUNPR-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.74
Rot. Bonds4

About methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate

methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate (PubChem CID 59988488) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate
PubChem CID59988488
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Namemethyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(-c2ccncc2)n1C
InChIInChI=1S/C23H18FN3O2/c1-27-21(17-9-13-26-14-10-17)19(16-7-11-25-12-8-16)20(22(27)23(28)29-2)15-3-5-18(24)6-4-15/h3-14H,1-2H3
InChIKeyMXFCOJLRXQUNPR-UHFFFAOYSA-N
XLogP4.74
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate (CID 59988488) is methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(-c2ccncc2)n1C.
What is the InChIKey of methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is MXFCOJLRXQUNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-27-21(17-9-13-26-14-10-17)19(16-7-11-25-12-8-16)20(22(27)23(28)29-2)15-3-5-18(24)6-4-15/h3-14H,1-2H3.
What are the key properties of methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate?
methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-1-methyl-4,5-dipyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 59988488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).