[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate

C25H26N4O3 — CID 134405441

IUPAC[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C(C)n1c(C)cc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-16-14-20-10-8-9-13-22(20)28(16)19(4)25(31)32-15-23(30)26-24-17(2)27-29(18(24)3)21-11-6-5-7-12-21/h5-14,19H,15H2,1-4H3,(H,26,30)
InChIKeyWBBGUMFTHYDLEM-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.50
Rot. Bonds6

About [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate (PubChem CID 134405441) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate
PubChem CID134405441
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C(C)n1c(C)cc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-16-14-20-10-8-9-13-22(20)28(16)19(4)25(31)32-15-23(30)26-24-17(2)27-29(18(24)3)21-11-6-5-7-12-21/h5-14,19H,15H2,1-4H3,(H,26,30)
InChIKeyWBBGUMFTHYDLEM-UHFFFAOYSA-N
XLogP4.50
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.50
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-propan-2-ylindol-1-yl)acetate
CID 134405529
[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] (2R)-2-phenoxybutanoate
CID 7233230
[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
4-O-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239640
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] 2-chlorobenzoate
CID 7775838
[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] 4-oxo-4-phenylbutanoate
CID 24686135
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396673
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 7669774

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate?
The IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate (CID 134405441) is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate.
What is the SMILES notation for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate?
The canonical SMILES for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C(C)n1c(C)cc2ccccc21.
What is the InChIKey of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate?
The InChIKey is WBBGUMFTHYDLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-14-20-10-8-9-13-22(20)28(16)19(4)25(31)32-15-23(30)26-24-17(2)27-29(18(24)3)21-11-6-5-7-12-21/h5-14,19H,15H2,1-4H3,(H,26,30).
What are the key properties of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate?
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate has a molecular weight of 430.51 g/mol, XLogP of 4.50, 6 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-methylindol-1-yl)propanoate is sourced from PubChem (CID 134405441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).