9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid

C21H21N7O3 — CID 168920778

IUPAC9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
SMILESCCn1c(C(=O)O)nc2c(N3CCOCC3)nc(-n3cc(-c4ccccc4)cn3)nc21
InChIInChI=1S/C21H21N7O3/c1-2-27-18-16(23-19(27)20(29)30)17(26-8-10-31-11-9-26)24-21(25-18)28-13-15(12-22-28)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,29,30)
InChIKeyOETYFHYIBCCWBK-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.23
Rot. Bonds5

About 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid

9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid (PubChem CID 168920778) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
PubChem CID168920778
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
SMILESCCn1c(C(=O)O)nc2c(N3CCOCC3)nc(-n3cc(-c4ccccc4)cn3)nc21
InChIInChI=1S/C21H21N7O3/c1-2-27-18-16(23-19(27)20(29)30)17(26-8-10-31-11-9-26)24-21(25-18)28-13-15(12-22-28)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,29,30)
InChIKeyOETYFHYIBCCWBK-UHFFFAOYSA-N
XLogP2.23
TPSA111.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid 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

4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921657
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
CID 168921646
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 168922531
4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 166164372
4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920984
1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747350
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid?
The IUPAC name of 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid (CID 168920778) is 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid.
What is the SMILES notation for 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid?
The canonical SMILES for 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid is CCn1c(C(=O)O)nc2c(N3CCOCC3)nc(-n3cc(-c4ccccc4)cn3)nc21.
What is the InChIKey of 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid?
The InChIKey is OETYFHYIBCCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-2-27-18-16(23-19(27)20(29)30)17(26-8-10-31-11-9-26)24-21(25-18)28-13-15(12-22-28)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,29,30).
What are the key properties of 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid?
9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid has a molecular weight of 419.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid is sourced from PubChem (CID 168920778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).