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

C26H28N4O3 — CID 134405529

IUPAC[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1c(C(C)C)cc2ccccc21
InChIInChI=1S/C26H28N4O3/c1-17(2)23-14-20-10-8-9-13-22(20)29(23)15-25(32)33-16-24(31)27-26-18(3)28-30(19(26)4)21-11-6-5-7-12-21/h5-14,17H,15-16H2,1-4H3,(H,27,31)
InChIKeyRYJMQDGTNCRJFT-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.75
Rot. Bonds7

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

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate (PubChem CID 134405529) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate
PubChem CID134405529
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1c(C(C)C)cc2ccccc21
InChIInChI=1S/C26H28N4O3/c1-17(2)23-14-20-10-8-9-13-22(20)29(23)15-25(32)33-16-24(31)27-26-18(3)28-30(19(26)4)21-11-6-5-7-12-21/h5-14,17H,15-16H2,1-4H3,(H,27,31)
InChIKeyRYJMQDGTNCRJFT-UHFFFAOYSA-N
XLogP4.75
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate
CID 134405441
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(5-chloro-2-methylindol-1-yl)acetate
CID 134405616
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] butanoate
CID 7796847
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide
CID 16575307
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 24816700
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833656
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 24686135
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354810
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 51516405
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(furan-2-yl)acetate
CID 134405507
4-O-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239640
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775838

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate?
The IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate (CID 134405529) is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate.
What is the SMILES notation for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate?
The canonical SMILES for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1c(C(C)C)cc2ccccc21.
What is the InChIKey of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate?
The InChIKey is RYJMQDGTNCRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-17(2)23-14-20-10-8-9-13-22(20)29(23)15-25(32)33-16-24(31)27-26-18(3)28-30(19(26)4)21-11-6-5-7-12-21/h5-14,17H,15-16H2,1-4H3,(H,27,31).
What are the key properties of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate?
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate has a molecular weight of 444.54 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate is sourced from PubChem (CID 134405529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).