6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one

C23H18FN5O3 — CID 122656104

IUPAC6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nn4c(N5CCOCC5)nccc34)cc2o1
InChIInChI=1S/C23H18FN5O3/c24-16-4-1-14(2-5-16)21-20(15-3-6-17-19(13-15)32-23(30)26-17)18-7-8-25-22(29(18)27-21)28-9-11-31-12-10-28/h1-8,13H,9-12H2,(H,26,30)
InChIKeyVARRSSAGSYLAJN-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.47
Rot. Bonds3

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

6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 122656104) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one
PubChem CID122656104
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nn4c(N5CCOCC5)nccc34)cc2o1
InChIInChI=1S/C23H18FN5O3/c24-16-4-1-14(2-5-16)21-20(15-3-6-17-19(13-15)32-23(30)26-17)18-7-8-25-22(29(18)27-21)28-9-11-31-12-10-28/h1-8,13H,9-12H2,(H,26,30)
InChIKeyVARRSSAGSYLAJN-UHFFFAOYSA-N
XLogP3.47
TPSA88.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one (CID 122656104) is 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nn4c(N5CCOCC5)nccc34)cc2o1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is VARRSSAGSYLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c24-16-4-1-14(2-5-16)21-20(15-3-6-17-19(13-15)32-23(30)26-17)18-7-8-25-22(29(18)27-21)28-9-11-31-12-10-28/h1-8,13H,9-12H2,(H,26,30).
What are the key properties of 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one?
6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 431.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 122656104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).