N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide

C19H15N5O2S — CID 2422335

IUPACN-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2[nH]ncc12)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H15N5O2S/c25-17(11-27-19-16-10-22-24-18(16)20-12-21-19)23-13-5-4-8-15(9-13)26-14-6-2-1-3-7-14/h1-10,12H,11H2,(H,23,25)(H,20,21,22,24)
InChIKeyJNXQQEHXDWYWKU-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.88
Rot. Bonds6

About N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide

N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide (PubChem CID 2422335) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
PubChem CID2422335
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2[nH]ncc12)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H15N5O2S/c25-17(11-27-19-16-10-22-24-18(16)20-12-21-19)23-13-5-4-8-15(9-13)26-14-6-2-1-3-7-14/h1-10,12H,11H2,(H,23,25)(H,20,21,22,24)
InChIKeyJNXQQEHXDWYWKU-UHFFFAOYSA-N
XLogP3.88
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The IUPAC name of N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide (CID 2422335) is N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide is O=C(CSc1ncnc2[nH]ncc12)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The InChIKey is JNXQQEHXDWYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-17(11-27-19-16-10-22-24-18(16)20-12-21-19)23-13-5-4-8-15(9-13)26-14-6-2-1-3-7-14/h1-10,12H,11H2,(H,23,25)(H,20,21,22,24).
What are the key properties of N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide has a molecular weight of 377.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide is sourced from PubChem (CID 2422335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).