N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C19H15N5OS — CID 650239

IUPACN-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H15N5OS/c25-17(23-14-7-3-1-4-8-14)12-26-19-16-11-22-24(18(16)20-13-21-19)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,23,25)
InChIKeyTYCRYRMAZFGELQ-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.55
Rot. Bonds5

About N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 650239) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID650239
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H15N5OS/c25-17(23-14-7-3-1-4-8-14)12-26-19-16-11-22-24(18(16)20-13-21-19)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,23,25)
InChIKeyTYCRYRMAZFGELQ-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 650239) is N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is TYCRYRMAZFGELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-17(23-14-7-3-1-4-8-14)12-26-19-16-11-22-24(18(16)20-13-21-19)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,23,25).
What are the key properties of N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 361.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 650239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).