2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide

C20H17N5O2S — CID 17442118

IUPAC2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCn1ncc2c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)ncnc21
InChIInChI=1S/C20H17N5O2S/c1-25-19-17(11-23-25)20(22-13-21-19)28-12-18(26)24-14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyIAMKWGNONODNDG-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.89
Rot. Bonds6

About 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide

2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (PubChem CID 17442118) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
PubChem CID17442118
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCn1ncc2c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)ncnc21
InChIInChI=1S/C20H17N5O2S/c1-25-19-17(11-23-25)20(22-13-21-19)28-12-18(26)24-14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyIAMKWGNONODNDG-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(9,10-dioxoanthracen-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104214
2-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-phenylacetamide
CID 701292
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675
methyl 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 42103957
N-[(1R)-3-methyl-1-phenylbutyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 51489927
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445511
N-[(2,3-dimethylphenyl)carbamoyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 24602196
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 18561852
ethyl 4-methyl-2-[[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate
CID 42105794
N-(4-methylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide
CID 51319733
2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507574
N-(2-methoxydibenzofuran-3-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104422

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (CID 17442118) is 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is Cn1ncc2c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)ncnc21.
What is the InChIKey of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The InChIKey is IAMKWGNONODNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-25-19-17(11-23-25)20(22-13-21-19)28-12-18(26)24-14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26).
What are the key properties of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide has a molecular weight of 391.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 17442118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).