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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one

C54H35F7N10O4S3 — CID 159375710

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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159375710) has the molecular formula C54H35F7N10O4S3 and a molecular weight of 1117.13 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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159375710
• Molecular Formula: C54H35F7N10O4S3
• Molecular Weight: 1117.13 g/mol
• Exact Mass: 1116.19
• 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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F.Cn1ccnc1-c1nc2c(-c3cccc(C(F)(F)F)c3)csc2c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccc(C(F)(F)F)c3)csc12
• InChI: InChI=1S/C19H14FN3O2S.C18H10F3N3OS.C17H11F3N4OS/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;19-18(20,21)11-5-3-4-10(8-11)12-9-26-15-14(12)23-16(24-17(15)25)13-6-1-2-7-22-13;1-24-6-5-21-15(24)14-22-12-11(8-26-13(12)16(25)23-14)9-3-2-4-10(7-9)17(18,19)20/h2-8,10H,9H2,1H3,(H,22,23,24);1-9H,(H,23,24,25);2-8H,1H3,(H,22,23,25)
• InChIKey: LKHFSJWAWIUTFY-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 190.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.13
LogP ≤ 5	12.80
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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 159375710) 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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one is COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F.Cn1ccnc1-c1nc2c(-c3cccc(C(F)(F)F)c3)csc2c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccc(C(F)(F)F)c3)csc12.

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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is LKHFSJWAWIUTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S.C18H10F3N3OS.C17H11F3N4OS/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;19-18(20,21)11-5-3-4-10(8-11)12-9-26-15-14(12)23-16(24-17(15)25)13-6-1-2-7-22-13;1-24-6-5-21-15(24)14-22-12-11(8-26-13(12)16(25)23-14)9-3-2-4-10(7-9)17(18,19)20/h2-8,10H,9H2,1H3,(H,22,23,24);1-9H,(H,23,24,25);2-8H,1H3,(H,22,23,25).

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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1117.13 g/mol, XLogP of 12.80, 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-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159375710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).