3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one

C20H13FN4OS — CID 72947678

IUPAC3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1c2cccnc2N(c2ccccc2)CN1c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H13FN4OS/c21-13-8-9-16-17(11-13)27-20(23-16)25-12-24(14-5-2-1-3-6-14)18-15(19(25)26)7-4-10-22-18/h1-11H,12H2
InChIKeyHLTQQRMZJNNNHV-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.59
Rot. Bonds2

About 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one

3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 72947678) has the molecular formula C20H13FN4OS and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID72947678
Molecular FormulaC20H13FN4OS
Molecular Weight376.42 g/mol
Exact Mass376.08
IUPAC Name3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1c2cccnc2N(c2ccccc2)CN1c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H13FN4OS/c21-13-8-9-16-17(11-13)27-20(23-16)25-12-24(14-5-2-1-3-6-14)18-15(19(25)26)7-4-10-22-18/h1-11H,12H2
InChIKeyHLTQQRMZJNNNHV-UHFFFAOYSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one (CID 72947678) is 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one is O=C1c2cccnc2N(c2ccccc2)CN1c1nc2ccc(F)cc2s1.
What is the InChIKey of 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HLTQQRMZJNNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4OS/c21-13-8-9-16-17(11-13)27-20(23-16)25-12-24(14-5-2-1-3-6-14)18-15(19(25)26)7-4-10-22-18/h1-11H,12H2.
What are the key properties of 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one?
3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 376.42 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 72947678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).