7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C54H41FN10O4S3 — CID 159538955

About 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159538955) has the molecular formula C54H41FN10O4S3 and a molecular weight of 1009.19 g/mol. Its IUPAC name is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159538955
• Molecular Formula: C54H41FN10O4S3
• Molecular Weight: 1009.19 g/mol
• Exact Mass: 1008.25
• IUPAC Name: 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1
• InChI: InChI=1S/C19H14FN3O2S.C18H13N3OS.C17H14N4OS/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15;1-11-5-4-6-12(9-11)13-10-23-16-15(13)20-17(21-18(16)22)14-7-2-3-8-19-14;1-10-4-3-5-11(8-10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-6-7-21(16)2/h2-8,10H,9H2,1H3,(H,22,23,24);2-10H,1H3,(H,20,21,22);3-9H,1-2H3,(H,19,20,22)
• InChIKey: MDYKCISCSVTDQI-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 190.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1009.19
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159538955) is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1.

What is the InChIKey of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is MDYKCISCSVTDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S.C18H13N3OS.C17H14N4OS/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15;1-11-5-4-6-12(9-11)13-10-23-16-15(13)20-17(21-18(16)22)14-7-2-3-8-19-14;1-10-4-3-5-11(8-10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-6-7-21(16)2/h2-8,10H,9H2,1H3,(H,22,23,24);2-10H,1H3,(H,20,21,22);3-9H,1-2H3,(H,19,20,22).

What are the key properties of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1009.19 g/mol, XLogP of 11.38, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159538955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).