N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

C13H10FN5O2S — CID 135831454

IUPACN-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2[nH]ncc2c(=O)[nH]1)Nc1ccccc1F
InChIInChI=1S/C13H10FN5O2S/c14-8-3-1-2-4-9(8)16-10(20)6-22-13-17-11-7(5-15-19-11)12(21)18-13/h1-5H,6H2,(H,16,20)(H2,15,17,18,19,21)
InChIKeyIYFHXRQHVKGUQX-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.52
Rot. Bonds4

About N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 135831454) has the molecular formula C13H10FN5O2S and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID135831454
Molecular FormulaC13H10FN5O2S
Molecular Weight319.32 g/mol
Exact Mass319.05
IUPAC NameN-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2[nH]ncc2c(=O)[nH]1)Nc1ccccc1F
InChIInChI=1S/C13H10FN5O2S/c14-8-3-1-2-4-9(8)16-10(20)6-22-13-17-11-7(5-15-19-11)12(21)18-13/h1-5H,6H2,(H,16,20)(H2,15,17,18,19,21)
InChIKeyIYFHXRQHVKGUQX-UHFFFAOYSA-N
XLogP1.52
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (CID 135831454) is N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is IYFHXRQHVKGUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2S/c14-8-3-1-2-4-9(8)16-10(20)6-22-13-17-11-7(5-15-19-11)12(21)18-13/h1-5H,6H2,(H,16,20)(H2,15,17,18,19,21).
What are the key properties of N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 319.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 135831454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).