2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane

C26H36N6O3 — CID 144910245

IUPAC2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane
SMILESC#C.CC.CC(=O)Nc1cc(C)ccc1C1C=C2C(=O)N(CC(=O)N(C)CCC#N)CC(C)N2N1
InChIInChI=1S/C22H28N6O3.C2H6.C2H2/c1-14-6-7-17(18(10-14)24-16(3)29)19-11-20-22(31)27(12-15(2)28(20)25-19)13-21(30)26(4)9-5-8-23;2*1-2/h6-7,10-11,15,19,25H,5,9,12-13H2,1-4H3,(H,24,29);1-2H3;1-2H
InChIKeyOKYOEUATPMKPQD-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.58
Rot. Bonds6

About 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane

2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane (PubChem CID 144910245) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane.

Molecular Properties

Compound Name2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane
PubChem CID144910245
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane
SMILESC#C.CC.CC(=O)Nc1cc(C)ccc1C1C=C2C(=O)N(CC(=O)N(C)CCC#N)CC(C)N2N1
InChIInChI=1S/C22H28N6O3.C2H6.C2H2/c1-14-6-7-17(18(10-14)24-16(3)29)19-11-20-22(31)27(12-15(2)28(20)25-19)13-21(30)26(4)9-5-8-23;2*1-2/h6-7,10-11,15,19,25H,5,9,12-13H2,1-4H3,(H,24,29);1-2H3;1-2H
InChIKeyOKYOEUATPMKPQD-UHFFFAOYSA-N
XLogP2.58
TPSA108.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane 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

N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide
CID 144910293
N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide
CID 144910447
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 55152553
N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide
CID 144910141
N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 64980524
1-(2-cyanoethyl)-3-(2-methoxy-5-methylphenyl)-1-methylurea
CID 3859282
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61225137
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 7430081
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 43384578
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane?
The IUPAC name of 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane (CID 144910245) is 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane.
What is the SMILES notation for 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane?
The canonical SMILES for 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane is C#C.CC.CC(=O)Nc1cc(C)ccc1C1C=C2C(=O)N(CC(=O)N(C)CCC#N)CC(C)N2N1.
What is the InChIKey of 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane?
The InChIKey is OKYOEUATPMKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3.C2H6.C2H2/c1-14-6-7-17(18(10-14)24-16(3)29)19-11-20-22(31)27(12-15(2)28(20)25-19)13-21(30)26(4)9-5-8-23;2*1-2/h6-7,10-11,15,19,25H,5,9,12-13H2,1-4H3,(H,24,29);1-2H3;1-2H.
What are the key properties of 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane?
2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane has a molecular weight of 480.61 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane is sourced from PubChem (CID 144910245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).