2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate

C26H26Cl2N2O5 — CID 50904485

IUPAC2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate
SMILESCOc1ccc(Oc2c(Cl)cnn(C(C(=O)OCCC3CCCC3)c3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C26H26Cl2N2O5/c1-33-18-10-12-19(13-11-18)35-24-22(28)16-29-30(25(24)31)23(20-8-4-5-9-21(20)27)26(32)34-15-14-17-6-2-3-7-17/h4-5,8-13,16-17,23H,2-3,6-7,14-15H2,1H3
InChIKeyTYMFAVSXBPCGHC-UHFFFAOYSA-N
MW517.41 g/mol
LogP6.06
Rot. Bonds9

About 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate

2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate (PubChem CID 50904485) has the molecular formula C26H26Cl2N2O5 and a molecular weight of 517.41 g/mol. Its IUPAC name is 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate
PubChem CID50904485
Molecular FormulaC26H26Cl2N2O5
Molecular Weight517.41 g/mol
Exact Mass516.12
IUPAC Name2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate
SMILESCOc1ccc(Oc2c(Cl)cnn(C(C(=O)OCCC3CCCC3)c3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C26H26Cl2N2O5/c1-33-18-10-12-19(13-11-18)35-24-22(28)16-29-30(25(24)31)23(20-8-4-5-9-21(20)27)26(32)34-15-14-17-6-2-3-7-17/h4-5,8-13,16-17,23H,2-3,6-7,14-15H2,1H3
InChIKeyTYMFAVSXBPCGHC-UHFFFAOYSA-N
XLogP6.06
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.41
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate 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 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate?
The IUPAC name of 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate (CID 50904485) is 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate.
What is the SMILES notation for 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate?
The canonical SMILES for 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate is COc1ccc(Oc2c(Cl)cnn(C(C(=O)OCCC3CCCC3)c3ccccc3Cl)c2=O)cc1.
What is the InChIKey of 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate?
The InChIKey is TYMFAVSXBPCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O5/c1-33-18-10-12-19(13-11-18)35-24-22(28)16-29-30(25(24)31)23(20-8-4-5-9-21(20)27)26(32)34-15-14-17-6-2-3-7-17/h4-5,8-13,16-17,23H,2-3,6-7,14-15H2,1H3.
What are the key properties of 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate?
2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate has a molecular weight of 517.41 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-(2-chlorophenyl)acetate is sourced from PubChem (CID 50904485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).