N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C56H44F3N17O5S3 — CID 162120055

About N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 162120055) has the molecular formula C56H44F3N17O5S3 and a molecular weight of 1188.28 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 162120055
• Molecular Formula: C56H44F3N17O5S3
• Molecular Weight: 1188.28 g/mol
• Exact Mass: 1187.28
• IUPAC Name: N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: COc1ccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cn1.Cc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)no1.O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CSc2ncnc3[nH]ncc23)c1
• InChI: InChI=1S/C20H14F3N5OS.C19H16N6O2S.C17H14N6O2S/c21-20(22,23)14-4-6-15(7-5-14)27-18(29)13-3-1-2-12(8-13)10-30-19-16-9-26-28-17(16)24-11-25-19;1-27-16-6-5-14(8-20-16)24-18(26)13-4-2-3-12(7-13)10-28-19-15-9-23-25-17(15)21-11-22-19;1-10-5-14(23-25-10)21-16(24)12-4-2-3-11(6-12)8-26-17-13-7-20-22-15(13)18-9-19-17/h1-9,11H,10H2,(H,27,29)(H,24,25,26,28);2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23,25);2-7,9H,8H2,1H3,(H,21,23,24)(H,18,19,20,22)
• InChIKey: ZHHDDMMZZQLABC-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 298.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1188.28
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 162120055) is N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is COc1ccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cn1.Cc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)no1.O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CSc2ncnc3[nH]ncc23)c1.

What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is ZHHDDMMZZQLABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5OS.C19H16N6O2S.C17H14N6O2S/c21-20(22,23)14-4-6-15(7-5-14)27-18(29)13-3-1-2-12(8-13)10-30-19-16-9-26-28-17(16)24-11-25-19;1-27-16-6-5-14(8-20-16)24-18(26)13-4-2-3-12(7-13)10-28-19-15-9-23-25-17(15)21-11-22-19;1-10-5-14(23-25-10)21-16(24)12-4-2-3-11(6-12)8-26-17-13-7-20-22-15(13)18-9-19-17/h1-9,11H,10H2,(H,27,29)(H,24,25,26,28);2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23,25);2-7,9H,8H2,1H3,(H,21,23,24)(H,18,19,20,22).

What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?

N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1188.28 g/mol, XLogP of 11.41, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 162120055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).