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

C22H19FN2O3 — CID 1449817

IUPACmethyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc(OC)c1
InChIInChI=1S/C22H19FN2O3/c1-27-18-5-3-4-15(12-18)14-25-19-10-11-24(17-8-6-16(23)7-9-17)20(19)13-21(25)22(26)28-2/h3-13H,14H2,1-2H3
InChIKeyNSFXVSDAPHASRT-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.41
Rot. Bonds5

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

methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1449817) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID1449817
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Namemethyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc(OC)c1
InChIInChI=1S/C22H19FN2O3/c1-27-18-5-3-4-15(12-18)14-25-19-10-11-24(17-8-6-16(23)7-9-17)20(19)13-21(25)22(26)28-2/h3-13H,14H2,1-2H3
InChIKeyNSFXVSDAPHASRT-UHFFFAOYSA-N
XLogP4.41
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate (CID 1449817) is methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc(OC)c1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NSFXVSDAPHASRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-18-5-3-4-15(12-18)14-25-19-10-11-24(17-8-6-16(23)7-9-17)20(19)13-21(25)22(26)28-2/h3-13H,14H2,1-2H3.
What are the key properties of methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 378.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1449817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).