1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

C41H43FN2O6 — CID 46917421

IUPAC1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1ccc(OC2C[C@H](O)C[C@@H](CCn3c(-c4ccc(F)cc4)c(-c4ccccc4)c(C(=O)Nc4ccccc4)c3C(C)C)O2)c(OC)c1
InChIInChI=1S/C41H43FN2O6/c1-26(2)39-38(41(46)43-30-13-9-6-10-14-30)37(27-11-7-5-8-12-27)40(28-15-17-29(42)18-16-28)44(39)22-21-33-23-31(45)24-36(49-33)50-34-20-19-32(47-3)25-35(34)48-4/h5-20,25-26,31,33,36,45H,21-24H2,1-4H3,(H,43,46)/t31-,33-,36?/m1/s1
InChIKeyGOANSGMMXGHJHV-FOQVLGDDSA-N
MW678.80 g/mol
LogP8.69
Rot. Bonds12

About 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 46917421) has the molecular formula C41H43FN2O6 and a molecular weight of 678.80 g/mol. Its IUPAC name is 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
PubChem CID46917421
Molecular FormulaC41H43FN2O6
Molecular Weight678.80 g/mol
Exact Mass678.31
IUPAC Name1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1ccc(OC2C[C@H](O)C[C@@H](CCn3c(-c4ccc(F)cc4)c(-c4ccccc4)c(C(=O)Nc4ccccc4)c3C(C)C)O2)c(OC)c1
InChIInChI=1S/C41H43FN2O6/c1-26(2)39-38(41(46)43-30-13-9-6-10-14-30)37(27-11-7-5-8-12-27)40(28-15-17-29(42)18-16-28)44(39)22-21-33-23-31(45)24-36(49-33)50-34-20-19-32(47-3)25-35(34)48-4/h5-20,25-26,31,33,36,45H,21-24H2,1-4H3,(H,43,46)/t31-,33-,36?/m1/s1
InChIKeyGOANSGMMXGHJHV-FOQVLGDDSA-N
XLogP8.69
TPSA91.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide 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 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (CID 46917421) is 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is COc1ccc(OC2C[C@H](O)C[C@@H](CCn3c(-c4ccc(F)cc4)c(-c4ccccc4)c(C(=O)Nc4ccccc4)c3C(C)C)O2)c(OC)c1.
What is the InChIKey of 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is GOANSGMMXGHJHV-FOQVLGDDSA-N. The full InChI is InChI=1S/C41H43FN2O6/c1-26(2)39-38(41(46)43-30-13-9-6-10-14-30)37(27-11-7-5-8-12-27)40(28-15-17-29(42)18-16-28)44(39)22-21-33-23-31(45)24-36(49-33)50-34-20-19-32(47-3)25-35(34)48-4/h5-20,25-26,31,33,36,45H,21-24H2,1-4H3,(H,43,46)/t31-,33-,36?/m1/s1.
What are the key properties of 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 678.80 g/mol, XLogP of 8.69, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,4R)-6-(2,4-dimethoxyphenoxy)-4-hydroxyoxan-2-yl]ethyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 46917421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).