N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide

C14H13N5O2S — CID 2475269

IUPACN-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C14H13N5O2S/c1-21-10-4-2-9(3-5-10)18-12(20)7-22-14-11-6-17-19-13(11)15-8-16-14/h2-6,8H,7H2,1H3,(H,18,20)(H,15,16,17,19)
InChIKeyQCUPAAXQADNDMS-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.09
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide

N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide (PubChem CID 2475269) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
PubChem CID2475269
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C14H13N5O2S/c1-21-10-4-2-9(3-5-10)18-12(20)7-22-14-11-6-17-19-13(11)15-8-16-14/h2-6,8H,7H2,1H3,(H,18,20)(H,15,16,17,19)
InChIKeyQCUPAAXQADNDMS-UHFFFAOYSA-N
XLogP2.09
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide (CID 2475269) is N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide is COc1ccc(NC(=O)CSc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The InChIKey is QCUPAAXQADNDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-21-10-4-2-9(3-5-10)18-12(20)7-22-14-11-6-17-19-13(11)15-8-16-14/h2-6,8H,7H2,1H3,(H,18,20)(H,15,16,17,19).
What are the key properties of N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide has a molecular weight of 315.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide is sourced from PubChem (CID 2475269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).