N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide

C22H15N5OS — CID 127036424

IUPACN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccccc1
InChIInChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28)
InChIKeyLFCBEJQCVFVGBU-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.80
Rot. Bonds4

About N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide

N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide (PubChem CID 127036424) has the molecular formula C22H15N5OS and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound NameN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
PubChem CID127036424
Molecular FormulaC22H15N5OS
Molecular Weight397.46 g/mol
Exact Mass397.10
IUPAC NameN-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccccc1
InChIInChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28)
InChIKeyLFCBEJQCVFVGBU-UHFFFAOYSA-N
XLogP4.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The IUPAC name of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide (CID 127036424) is N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide.
What is the SMILES notation for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The canonical SMILES for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide is O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccccc1.
What is the InChIKey of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The InChIKey is LFCBEJQCVFVGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28).
What are the key properties of N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 127036424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).