ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate

C34H32N2O3 — CID 69424051

IUPACethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate
SMILESCCOC(=O)CCc1cn(Cc2ccc(OCc3ccc(-c4ccccc4)cn3)cc2)cc1-c1ccccc1
InChIInChI=1S/C34H32N2O3/c1-2-38-34(37)20-16-30-23-36(24-33(30)28-11-7-4-8-12-28)22-26-13-18-32(19-14-26)39-25-31-17-15-29(21-35-31)27-9-5-3-6-10-27/h3-15,17-19,21,23-24H,2,16,20,22,25H2,1H3
InChIKeyARGFBQYYMJOVPQ-UHFFFAOYSA-N
MW516.64 g/mol
LogP7.34
Rot. Bonds11

About ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate

ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate (PubChem CID 69424051) has the molecular formula C34H32N2O3 and a molecular weight of 516.64 g/mol. Its IUPAC name is ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate
PubChem CID69424051
Molecular FormulaC34H32N2O3
Molecular Weight516.64 g/mol
Exact Mass516.24
IUPAC Nameethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate
SMILESCCOC(=O)CCc1cn(Cc2ccc(OCc3ccc(-c4ccccc4)cn3)cc2)cc1-c1ccccc1
InChIInChI=1S/C34H32N2O3/c1-2-38-34(37)20-16-30-23-36(24-33(30)28-11-7-4-8-12-28)22-26-13-18-32(19-14-26)39-25-31-17-15-29(21-35-31)27-9-5-3-6-10-27/h3-15,17-19,21,23-24H,2,16,20,22,25H2,1H3
InChIKeyARGFBQYYMJOVPQ-UHFFFAOYSA-N
XLogP7.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate 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 ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate?
The IUPAC name of ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate (CID 69424051) is ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate?
The canonical SMILES for ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate is CCOC(=O)CCc1cn(Cc2ccc(OCc3ccc(-c4ccccc4)cn3)cc2)cc1-c1ccccc1.
What is the InChIKey of ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate?
The InChIKey is ARGFBQYYMJOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O3/c1-2-38-34(37)20-16-30-23-36(24-33(30)28-11-7-4-8-12-28)22-26-13-18-32(19-14-26)39-25-31-17-15-29(21-35-31)27-9-5-3-6-10-27/h3-15,17-19,21,23-24H,2,16,20,22,25H2,1H3.
What are the key properties of ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate?
ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate has a molecular weight of 516.64 g/mol, XLogP of 7.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-phenyl-1-[[4-[(5-phenyl-2-pyridinyl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoate is sourced from PubChem (CID 69424051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).