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

C20H17N5O2S — CID 1139994

IUPACN-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H17N5O2S/c1-27-17-10-6-5-9-16(17)24-18(26)12-28-20-15-11-23-25(19(15)21-13-22-20)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyGFOPOJWERQVUHI-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.55
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 1139994) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID1139994
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H17N5O2S/c1-27-17-10-6-5-9-16(17)24-18(26)12-28-20-15-11-23-25(19(15)21-13-22-20)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyGFOPOJWERQVUHI-UHFFFAOYSA-N
XLogP3.55
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide 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-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 1139994) is N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is COc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is GFOPOJWERQVUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-27-17-10-6-5-9-16(17)24-18(26)12-28-20-15-11-23-25(19(15)21-13-22-20)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 391.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1139994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).