methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate

C23H19FN2O4 — CID 1449717

IUPACmethyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H19FN2O4/c1-29-18-9-3-15(4-10-18)22(27)14-26-19-11-12-25(17-7-5-16(24)6-8-17)20(19)13-21(26)23(28)30-2/h3-13H,14H2,1-2H3
InChIKeyQQOGFKUGASMCRP-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.25
Rot. Bonds6

About methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate

methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1449717) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID1449717
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Namemethyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H19FN2O4/c1-29-18-9-3-15(4-10-18)22(27)14-26-19-11-12-25(17-7-5-16(24)6-8-17)20(19)13-21(26)23(28)30-2/h3-13H,14H2,1-2H3
InChIKeyQQOGFKUGASMCRP-UHFFFAOYSA-N
XLogP4.25
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate (CID 1449717) is methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is QQOGFKUGASMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-29-18-9-3-15(4-10-18)22(27)14-26-19-11-12-25(17-7-5-16(24)6-8-17)20(19)13-21(26)23(28)30-2/h3-13H,14H2,1-2H3.
What are the key properties of methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 406.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1449717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).