5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide

C23H20FN5O3S — CID 122655971

IUPAC5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
SMILESO=S1(=O)Cc2cc(-c3c(-c4ccc(F)cc4)nn4c(N5CCOCC5)nccc34)ccc2N1
InChIInChI=1S/C23H20FN5O3S/c24-18-4-1-15(2-5-18)22-21(16-3-6-19-17(13-16)14-33(30,31)27-19)20-7-8-25-23(29(20)26-22)28-9-11-32-12-10-28/h1-8,13,27H,9-12,14H2
InChIKeyOWOPUDFGBUUGHY-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.29
Rot. Bonds3

About 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide

5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide (PubChem CID 122655971) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
PubChem CID122655971
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Name5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
SMILESO=S1(=O)Cc2cc(-c3c(-c4ccc(F)cc4)nn4c(N5CCOCC5)nccc34)ccc2N1
InChIInChI=1S/C23H20FN5O3S/c24-18-4-1-15(2-5-18)22-21(16-3-6-19-17(13-16)14-33(30,31)27-19)20-7-8-25-23(29(20)26-22)28-9-11-32-12-10-28/h1-8,13,27H,9-12,14H2
InChIKeyOWOPUDFGBUUGHY-UHFFFAOYSA-N
XLogP3.29
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
The IUPAC name of 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide (CID 122655971) is 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
The canonical SMILES for 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide is O=S1(=O)Cc2cc(-c3c(-c4ccc(F)cc4)nn4c(N5CCOCC5)nccc34)ccc2N1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
The InChIKey is OWOPUDFGBUUGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c24-18-4-1-15(2-5-18)22-21(16-3-6-19-17(13-16)14-33(30,31)27-19)20-7-8-25-23(29(20)26-22)28-9-11-32-12-10-28/h1-8,13,27H,9-12,14H2.
What are the key properties of 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide has a molecular weight of 465.51 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2,1-benzothiazole 2,2-dioxide is sourced from PubChem (CID 122655971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).