[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C23H22N4O3 — CID 7665603

IUPAC[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H22N4O3/c1-15-23(16(2)27(26-15)18-8-4-3-5-9-18)25-21(28)14-30-22(29)12-17-13-24-20-11-7-6-10-19(17)20/h3-11,13,24H,12,14H2,1-2H3,(H,25,28)
InChIKeyYRMWPBPEAQJBTF-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.69
Rot. Bonds6

About [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7665603) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7665603
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H22N4O3/c1-15-23(16(2)27(26-15)18-8-4-3-5-9-18)25-21(28)14-30-22(29)12-17-13-24-20-11-7-6-10-19(17)20/h3-11,13,24H,12,14H2,1-2H3,(H,25,28)
InChIKeyYRMWPBPEAQJBTF-UHFFFAOYSA-N
XLogP3.69
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-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 [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7665603) is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is YRMWPBPEAQJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-23(16(2)27(26-15)18-8-4-3-5-9-18)25-21(28)14-30-22(29)12-17-13-24-20-11-7-6-10-19(17)20/h3-11,13,24H,12,14H2,1-2H3,(H,25,28).
What are the key properties of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 402.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7665603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).