pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

C24H19ClN2O4 — CID 10574865

IUPACpyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESCOc1ccc2c(c1)c(CC(=O)Oc1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN2O4/c1-15-20(13-23(28)31-19-4-3-11-26-14-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3
InChIKeyAIRFAHHXKVXYBE-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.84
Rot. Bonds5

About pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (PubChem CID 10574865) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Namepyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
PubChem CID10574865
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC Namepyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESCOc1ccc2c(c1)c(CC(=O)Oc1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN2O4/c1-15-20(13-23(28)31-19-4-3-11-26-14-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3
InChIKeyAIRFAHHXKVXYBE-UHFFFAOYSA-N
XLogP4.84
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]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 pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The IUPAC name of pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (CID 10574865) is pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The canonical SMILES for pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is COc1ccc2c(c1)c(CC(=O)Oc1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The InChIKey is AIRFAHHXKVXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c1-15-20(13-23(28)31-19-4-3-11-26-14-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3.
What are the key properties of pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate has a molecular weight of 434.88 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 10574865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).