N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide

C22H24ClN7O3 — CID 135874424

IUPACN-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O
InChIInChI=1S/C22H24ClN7O3/c1-3-10-29-20-18(21(32)30(11-4-2)22(29)33)25-19(26-20)16-9-12-28(27-16)13-17(31)24-15-7-5-14(23)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,31)(H,25,26)
InChIKeyWZMQQVLYFLAEQW-UHFFFAOYSA-N
MW469.93 g/mol
LogP2.86
Rot. Bonds8

About N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide

N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide (PubChem CID 135874424) has the molecular formula C22H24ClN7O3 and a molecular weight of 469.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide
PubChem CID135874424
Molecular FormulaC22H24ClN7O3
Molecular Weight469.93 g/mol
Exact Mass469.16
IUPAC NameN-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O
InChIInChI=1S/C22H24ClN7O3/c1-3-10-29-20-18(21(32)30(11-4-2)22(29)33)25-19(26-20)16-9-12-28(27-16)13-17(31)24-15-7-5-14(23)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,31)(H,25,26)
InChIKeyWZMQQVLYFLAEQW-UHFFFAOYSA-N
XLogP2.86
TPSA119.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide 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-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide (CID 135874424) is N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide is CCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide?
The InChIKey is WZMQQVLYFLAEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O3/c1-3-10-29-20-18(21(32)30(11-4-2)22(29)33)25-19(26-20)16-9-12-28(27-16)13-17(31)24-15-7-5-14(23)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,31)(H,25,26).
What are the key properties of N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide has a molecular weight of 469.93 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 135874424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).