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

C20H21N7OS — CID 3228928

IUPAC2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C20H21N7OS/c1-12-18(13(2)26(4)25-12)24-17(28)11-29-20-16-10-21-27(15-8-6-5-7-9-15)19(16)22-14(3)23-20/h5-10H,11H2,1-4H3,(H,24,28)
InChIKeySOPFGYCIPOUWAF-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.21
Rot. Bonds5

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

2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 3228928) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID3228928
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC Name2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C20H21N7OS/c1-12-18(13(2)26(4)25-12)24-17(28)11-29-20-16-10-21-27(15-8-6-5-7-9-15)19(16)22-14(3)23-20/h5-10H,11H2,1-4H3,(H,24,28)
InChIKeySOPFGYCIPOUWAF-UHFFFAOYSA-N
XLogP3.21
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 3228928) is 2-(6-methyl-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-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is SOPFGYCIPOUWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-12-18(13(2)26(4)25-12)24-17(28)11-29-20-16-10-21-27(15-8-6-5-7-9-15)19(16)22-14(3)23-20/h5-10H,11H2,1-4H3,(H,24,28).
What are the key properties of 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 3228928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).