N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide

C25H31N7O4 — CID 135522368

IUPACN-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide
SMILESCCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)c(C)c4)nn3C)nc2n(CCC)c1=O
InChIInChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
InChIKeyFCMUQGWJTIVYIU-UHFFFAOYSA-N
MW493.57 g/mol
LogP2.74
Rot. Bonds9

About N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide

N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide (PubChem CID 135522368) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide
PubChem CID135522368
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC NameN-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide
SMILESCCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)c(C)c4)nn3C)nc2n(CCC)c1=O
InChIInChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
InChIKeyFCMUQGWJTIVYIU-UHFFFAOYSA-N
XLogP2.74
TPSA128.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide 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 N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide (CID 135522368) is N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide is CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)c(C)c4)nn3C)nc2n(CCC)c1=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide?
The InChIKey is FCMUQGWJTIVYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide?
N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide has a molecular weight of 493.57 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide is sourced from PubChem (CID 135522368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).