6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one

C23H19N5O2S — CID 122656178

IUPAC6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccccc4)nn4c(N5CCOCC5)nccc34)cc2s1
InChIInChI=1S/C23H19N5O2S/c29-23-25-17-7-6-16(14-19(17)31-23)20-18-8-9-24-22(27-10-12-30-13-11-27)28(18)26-21(20)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,25,29)
InChIKeyXECHPRVQNPMNPS-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.80
Rot. Bonds3

About 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one

6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one (PubChem CID 122656178) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one
PubChem CID122656178
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccccc4)nn4c(N5CCOCC5)nccc34)cc2s1
InChIInChI=1S/C23H19N5O2S/c29-23-25-17-7-6-16(14-19(17)31-23)20-18-8-9-24-22(27-10-12-30-13-11-27)28(18)26-21(20)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,25,29)
InChIKeyXECHPRVQNPMNPS-UHFFFAOYSA-N
XLogP3.80
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one (CID 122656178) is 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(-c3c(-c4ccccc4)nn4c(N5CCOCC5)nccc34)cc2s1.
What is the InChIKey of 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one?
The InChIKey is XECHPRVQNPMNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c29-23-25-17-7-6-16(14-19(17)31-23)20-18-8-9-24-22(27-10-12-30-13-11-27)28(18)26-21(20)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,25,29).
What are the key properties of 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one?
6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one has a molecular weight of 429.51 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl)-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 122656178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).