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

C14H13N5O2S — CID 135831523

IUPACN-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide
SMILESCN(C(=O)CSc1nc2[nH]ncc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C14H13N5O2S/c1-19(9-5-3-2-4-6-9)11(20)8-22-14-16-12-10(7-15-18-12)13(21)17-14/h2-7H,8H2,1H3,(H2,15,16,17,18,21)
InChIKeyCDMXXHKLKLWZCS-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.40
Rot. Bonds4

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

N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide (PubChem CID 135831523) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide
PubChem CID135831523
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide
SMILESCN(C(=O)CSc1nc2[nH]ncc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C14H13N5O2S/c1-19(9-5-3-2-4-6-9)11(20)8-22-14-16-12-10(7-15-18-12)13(21)17-14/h2-7H,8H2,1H3,(H2,15,16,17,18,21)
InChIKeyCDMXXHKLKLWZCS-UHFFFAOYSA-N
XLogP1.40
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide 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 N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide (CID 135831523) is N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide is CN(C(=O)CSc1nc2[nH]ncc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is CDMXXHKLKLWZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-19(9-5-3-2-4-6-9)11(20)8-22-14-16-12-10(7-15-18-12)13(21)17-14/h2-7H,8H2,1H3,(H2,15,16,17,18,21).
What are the key properties of N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 315.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135831523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).