7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C129H111F3N24O11S6 — CID 163960953

About 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 163960953) has the molecular formula C129H111F3N24O11S6 and a molecular weight of 2422.86 g/mol. Its IUPAC name is 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 163960953
• Molecular Formula: C129H111F3N24O11S6
• Molecular Weight: 2422.86 g/mol
• Exact Mass: 2420.71
• IUPAC Name: 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)(C)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.CC(F)Oc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(CO)c1.Cc1cccc(CC2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1N1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1
• InChI: InChI=1S/C24H23N5O3S.C24H23N5O2S.C23H21N5O2S.C21H18FN3OS.C19H13F2N3O2S.C18H13N3OS/c1-15-5-6-19(16(12-15)13-30)28-8-10-29(11-9-28)24(32)17-14-33-21-20(17)26-22(27-23(21)31)18-4-2-3-7-25-18;1-15-5-4-6-16(11-15)12-17-13-29(10-9-25-17)24(31)18-14-32-21-20(18)27-22(28-23(21)30)19-7-2-3-8-26-19;1-15-6-2-3-8-18(15)27-10-12-28(13-11-27)23(30)16-14-31-20-19(16)25-21(26-22(20)29)17-7-4-5-9-24-17;1-21(2,3)12-7-8-13(15(22)10-12)14-11-27-18-17(14)24-19(25-20(18)26)16-6-4-5-9-23-16;1-10(20)26-11-5-6-12(14(21)8-11)13-9-27-17-16(13)23-18(24-19(17)25)15-4-2-3-7-22-15;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h2-7,12,14,30H,8-11,13H2,1H3,(H,26,27,31);2-8,11,14,17,25H,9-10,12-13H2,1H3,(H,27,28,30);2-9,14H,10-13H2,1H3,(H,25,26,29);4-11H,1-3H3,(H,24,25,26);2-10H,1H3,(H,23,24,25);2-10H,1H3,(H,20,21,22)
• InChIKey: SHJKWLIIBBQIDW-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 460.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2422.86
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 163960953) is 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(C)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.CC(F)Oc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(CO)c1.Cc1cccc(CC2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1N1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.

What is the InChIKey of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is SHJKWLIIBBQIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S.C24H23N5O2S.C23H21N5O2S.C21H18FN3OS.C19H13F2N3O2S.C18H13N3OS/c1-15-5-6-19(16(12-15)13-30)28-8-10-29(11-9-28)24(32)17-14-33-21-20(17)26-22(27-23(21)31)18-4-2-3-7-25-18;1-15-5-4-6-16(11-15)12-17-13-29(10-9-25-17)24(31)18-14-32-21-20(18)27-22(28-23(21)30)19-7-2-3-8-26-19;1-15-6-2-3-8-18(15)27-10-12-28(13-11-27)23(30)16-14-31-20-19(16)25-21(26-22(20)29)17-7-4-5-9-24-17;1-21(2,3)12-7-8-13(15(22)10-12)14-11-27-18-17(14)24-19(25-20(18)26)16-6-4-5-9-23-16;1-10(20)26-11-5-6-12(14(21)8-11)13-9-27-17-16(13)23-18(24-19(17)25)15-4-2-3-7-22-15;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h2-7,12,14,30H,8-11,13H2,1H3,(H,26,27,31);2-8,11,14,17,25H,9-10,12-13H2,1H3,(H,27,28,30);2-9,14H,10-13H2,1H3,(H,25,26,29);4-11H,1-3H3,(H,24,25,26);2-10H,1H3,(H,23,24,25);2-10H,1H3,(H,20,21,22).

What are the key properties of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2422.86 g/mol, XLogP of 22.86, 19 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 163960953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).