2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H8F3N7O2S — CID 38783417

IUPAC2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCn1ncc2c(=O)n(CC(=O)Nc3nnc(C(F)(F)F)s3)cnc21
InChIInChI=1S/C11H8F3N7O2S/c1-20-7-5(2-16-20)8(23)21(4-15-7)3-6(22)17-10-19-18-9(24-10)11(12,13)14/h2,4H,3H2,1H3,(H,17,19,22)
InChIKeyKRGVNODAUXTTFL-UHFFFAOYSA-N
MW359.29 g/mol
LogP0.64
Rot. Bonds3

About 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 38783417) has the molecular formula C11H8F3N7O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID38783417
Molecular FormulaC11H8F3N7O2S
Molecular Weight359.29 g/mol
Exact Mass359.04
IUPAC Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCn1ncc2c(=O)n(CC(=O)Nc3nnc(C(F)(F)F)s3)cnc21
InChIInChI=1S/C11H8F3N7O2S/c1-20-7-5(2-16-20)8(23)21(4-15-7)3-6(22)17-10-19-18-9(24-10)11(12,13)14/h2,4H,3H2,1H3,(H,17,19,22)
InChIKeyKRGVNODAUXTTFL-UHFFFAOYSA-N
XLogP0.64
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 38783417) is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is Cn1ncc2c(=O)n(CC(=O)Nc3nnc(C(F)(F)F)s3)cnc21.
What is the InChIKey of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KRGVNODAUXTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7O2S/c1-20-7-5(2-16-20)8(23)21(4-15-7)3-6(22)17-10-19-18-9(24-10)11(12,13)14/h2,4H,3H2,1H3,(H,17,19,22).
What are the key properties of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 359.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 38783417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).