[1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate

C27H24ClN3O5 — CID 151667750

IUPAC[1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate
SMILESCOc1cc(NC(=O)C(=O)c2c(OC(C)=O)ccc3c2c(C)c(C)n3Cc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C27H24ClN3O5/c1-15-16(2)31(14-18-5-7-19(28)8-6-18)21-9-10-22(36-17(3)32)25(24(15)21)26(33)27(34)30-20-11-12-29-23(13-20)35-4/h5-13H,14H2,1-4H3,(H,29,30,34)
InChIKeyQXWSPAANCZUJBL-UHFFFAOYSA-N
MW505.96 g/mol
LogP5.11
Rot. Bonds7

About [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate

[1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate (PubChem CID 151667750) has the molecular formula C27H24ClN3O5 and a molecular weight of 505.96 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate
PubChem CID151667750
Molecular FormulaC27H24ClN3O5
Molecular Weight505.96 g/mol
Exact Mass505.14
IUPAC Name[1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate
SMILESCOc1cc(NC(=O)C(=O)c2c(OC(C)=O)ccc3c2c(C)c(C)n3Cc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C27H24ClN3O5/c1-15-16(2)31(14-18-5-7-19(28)8-6-18)21-9-10-22(36-17(3)32)25(24(15)21)26(33)27(34)30-20-11-12-29-23(13-20)35-4/h5-13H,14H2,1-4H3,(H,29,30,34)
InChIKeyQXWSPAANCZUJBL-UHFFFAOYSA-N
XLogP5.11
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.96
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-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

Related Compounds

2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57405859
1-[(4-chlorophenyl)methyl]-3-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2-methylindole-5-carboxylic acid
CID 57386189
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57387695
2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 118177589
2-[1-[(4-chlorophenyl)methyl]-4-cyclopenta-1,3,4-trien-1-yl-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 123511601
2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 67236437
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
CID 53307201
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 53482691
2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 163954116
2-[4-[(4-chlorophenyl)methyl]-2,5-dimethylthieno[3,2-b]pyrrol-6-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide
CID 123512366

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate (CID 151667750) is [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate is COc1cc(NC(=O)C(=O)c2c(OC(C)=O)ccc3c2c(C)c(C)n3Cc2ccc(Cl)cc2)ccn1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate?
The InChIKey is QXWSPAANCZUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O5/c1-15-16(2)31(14-18-5-7-19(28)8-6-18)21-9-10-22(36-17(3)32)25(24(15)21)26(33)27(34)30-20-11-12-29-23(13-20)35-4/h5-13H,14H2,1-4H3,(H,29,30,34).
What are the key properties of [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate?
[1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate has a molecular weight of 505.96 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate is sourced from PubChem (CID 151667750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).