N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide

C22H24ClN7O3 — CID 67221627

IUPACN-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3cn[nH]c3CC(=O)Nc3ccccc3Cl)nc2n(CCC)c1=O
InChIInChI=1S/C22H24ClN7O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)26-19(27-20)13-12-24-28-16(13)11-17(31)25-15-8-6-5-7-14(15)23/h5-8,12H,3-4,9-11H2,1-2H3,(H,24,28)(H,25,31)(H,26,27)
InChIKeyXDDKZKSFYRQDDJ-UHFFFAOYSA-N
MW469.93 g/mol
LogP2.93
Rot. Bonds8

About N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide

N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide (PubChem CID 67221627) has the molecular formula C22H24ClN7O3 and a molecular weight of 469.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide
PubChem CID67221627
Molecular FormulaC22H24ClN7O3
Molecular Weight469.93 g/mol
Exact Mass469.16
IUPAC NameN-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3cn[nH]c3CC(=O)Nc3ccccc3Cl)nc2n(CCC)c1=O
InChIInChI=1S/C22H24ClN7O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)26-19(27-20)13-12-24-28-16(13)11-17(31)25-15-8-6-5-7-14(15)23/h5-8,12H,3-4,9-11H2,1-2H3,(H,24,28)(H,25,31)(H,26,27)
InChIKeyXDDKZKSFYRQDDJ-UHFFFAOYSA-N
XLogP2.93
TPSA130.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-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

Related Compounds

8-[5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 91125701
ethyl 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]-2-phenylacetate
CID 67221405
8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 10904528
8-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 11510603
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetyl chloride
CID 57429672
1,3-dipropyl-8-thiophen-2-yl-7H-purine-2,6-dione
CID 14795484
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetic acid
CID 22266786
8-(4-iodophenyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 11123022
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 22266739
3-benzyl-8-(hydroxymethyl)-1-propyl-7H-purine-2,6-dione
CID 11438408
N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912845
8-[6-(cyclopentylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054307

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide (CID 67221627) is N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide is CCCn1c(=O)c2[nH]c(-c3cn[nH]c3CC(=O)Nc3ccccc3Cl)nc2n(CCC)c1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide?
The InChIKey is XDDKZKSFYRQDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)26-19(27-20)13-12-24-28-16(13)11-17(31)25-15-8-6-5-7-14(15)23/h5-8,12H,3-4,9-11H2,1-2H3,(H,24,28)(H,25,31)(H,26,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide has a molecular weight of 469.93 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 67221627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).