2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C22H23N7OS — CID 3228948

IUPAC2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H23N7OS/c1-13-19(14(2)28(3)27-13)24-18(30)12-31-22-17-11-23-29(16-7-5-4-6-8-16)21(17)25-20(26-22)15-9-10-15/h4-8,11,15H,9-10,12H2,1-3H3,(H,24,30)
InChIKeySTFJYJGXSAAKHN-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.77
Rot. Bonds6

About 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 3228948) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID3228948
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H23N7OS/c1-13-19(14(2)28(3)27-13)24-18(30)12-31-22-17-11-23-29(16-7-5-4-6-8-16)21(17)25-20(26-22)15-9-10-15/h4-8,11,15H,9-10,12H2,1-3H3,(H,24,30)
InChIKeySTFJYJGXSAAKHN-UHFFFAOYSA-N
XLogP3.77
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-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 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 3228948) is 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is STFJYJGXSAAKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-13-19(14(2)28(3)27-13)24-18(30)12-31-22-17-11-23-29(16-7-5-4-6-8-16)21(17)25-20(26-22)15-9-10-15/h4-8,11,15H,9-10,12H2,1-3H3,(H,24,30).
What are the key properties of 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 3228948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).