ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate

C25H28Cl2N2O3 — CID 159058375

IUPACethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate
SMILESCCOC(=O)c1ccn(C(C)C)c1C(Cc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C25H28Cl2N2O3/c1-6-32-25(31)20-9-10-29(15(2)3)23(20)21(19-8-7-18(26)11-16(19)4)12-17-13-22(27)24(30)28(5)14-17/h7-11,13-15,21H,6,12H2,1-5H3
InChIKeyJYDNIYONWVKSPV-UHFFFAOYSA-N
MW475.42 g/mol
LogP5.93
Rot. Bonds7

About ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate

ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate (PubChem CID 159058375) has the molecular formula C25H28Cl2N2O3 and a molecular weight of 475.42 g/mol. Its IUPAC name is ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate
PubChem CID159058375
Molecular FormulaC25H28Cl2N2O3
Molecular Weight475.42 g/mol
Exact Mass474.15
IUPAC Nameethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate
SMILESCCOC(=O)c1ccn(C(C)C)c1C(Cc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C25H28Cl2N2O3/c1-6-32-25(31)20-9-10-29(15(2)3)23(20)21(19-8-7-18(26)11-16(19)4)12-17-13-22(27)24(30)28(5)14-17/h7-11,13-15,21H,6,12H2,1-5H3
InChIKeyJYDNIYONWVKSPV-UHFFFAOYSA-N
XLogP5.93
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-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 ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate?
The IUPAC name of ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate (CID 159058375) is ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate is CCOC(=O)c1ccn(C(C)C)c1C(Cc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1C.
What is the InChIKey of ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate?
The InChIKey is JYDNIYONWVKSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N2O3/c1-6-32-25(31)20-9-10-29(15(2)3)23(20)21(19-8-7-18(26)11-16(19)4)12-17-13-22(27)24(30)28(5)14-17/h7-11,13-15,21H,6,12H2,1-5H3.
What are the key properties of ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate?
ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate has a molecular weight of 475.42 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate is sourced from PubChem (CID 159058375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).