2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C22H20N4O2 — CID 16613855

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H20N4O2/c1-16-19-9-5-6-10-20(19)22(28)25(16)15-21(27)23-12-11-17-13-24-26(14-17)18-7-3-2-4-8-18/h2-10,13-14H,1,11-12,15H2,(H,23,27)
InChIKeyBDNFFRJBSYVHSL-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.66
Rot. Bonds6

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 16613855) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID16613855
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H20N4O2/c1-16-19-9-5-6-10-20(19)22(28)25(16)15-21(27)23-12-11-17-13-24-26(14-17)18-7-3-2-4-8-18/h2-10,13-14H,1,11-12,15H2,(H,23,27)
InChIKeyBDNFFRJBSYVHSL-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide 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-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000848
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000677
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55505000
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 16613855) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is BDNFFRJBSYVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-16-19-9-5-6-10-20(19)22(28)25(16)15-21(27)23-12-11-17-13-24-26(14-17)18-7-3-2-4-8-18/h2-10,13-14H,1,11-12,15H2,(H,23,27).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 16613855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).