7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

C114H104ClN25O10S5 — CID 157108435

About 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 157108435) has the molecular formula C114H104ClN25O10S5 and a molecular weight of 2180.04 g/mol. Its IUPAC name is 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 157108435
• Molecular Formula: C114H104ClN25O10S5
• Molecular Weight: 2180.04 g/mol
• Exact Mass: 2177.67
• IUPAC Name: 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: Cc1ccc(CN2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)cc1Cl.Cc1cccc(C2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)C2)c1.Cc1cccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1cccc(CN2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(C2=CCN=C2)C1
• InChI: InChI=1S/C24H22ClN5O2S.C24H23N5O2S.C23H21N5O2S.C23H20N4O2S.C20H18N6O2S/c1-15-5-6-16(12-18(15)25)13-29-8-10-30(11-9-29)24(32)17-14-33-21-20(17)27-22(28-23(21)31)19-4-2-3-7-26-19;1-16-5-4-6-17(13-16)14-28-9-11-29(12-10-28)24(31)18-15-32-21-20(18)26-22(27-23(21)30)19-7-2-3-8-25-19;1-14-5-4-6-15(11-14)18-12-28(10-9-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-7-2-3-8-24-17;1-14-5-4-6-15(11-14)16-8-10-27(12-16)23(29)17-13-30-20-19(17)25-21(26-22(20)28)18-7-2-3-9-24-18;27-19-17-16(24-18(25-19)14-3-1-2-5-22-14)13(11-29-17)20(28)26-8-7-23-15(10-26)12-4-6-21-9-12/h2-7,12,14H,8-11,13H2,1H3,(H,27,28,31);2-8,13,15H,9-12,14H2,1H3,(H,26,27,30);2-8,11,13,18,25H,9-10,12H2,1H3,(H,26,27,29);2-7,9,11,13,16H,8,10,12H2,1H3,(H,25,26,28);1-5,9,11,15,23H,6-8,10H2,(H,24,25,27)
• InChIKey: AGOLOKXVZIPXDC-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 437.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.04
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 157108435) is 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(CN2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)cc1Cl.Cc1cccc(C2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)C2)c1.Cc1cccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1cccc(CN2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(C2=CCN=C2)C1.

What is the InChIKey of 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is AGOLOKXVZIPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S.C24H23N5O2S.C23H21N5O2S.C23H20N4O2S.C20H18N6O2S/c1-15-5-6-16(12-18(15)25)13-29-8-10-30(11-9-29)24(32)17-14-33-21-20(17)27-22(28-23(21)31)19-4-2-3-7-26-19;1-16-5-4-6-17(13-16)14-28-9-11-29(12-10-28)24(31)18-15-32-21-20(18)26-22(27-23(21)30)19-7-2-3-8-25-19;1-14-5-4-6-15(11-14)18-12-28(10-9-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-7-2-3-8-24-17;1-14-5-4-6-15(11-14)16-8-10-27(12-16)23(29)17-13-30-20-19(17)25-21(26-22(20)28)18-7-2-3-9-24-18;27-19-17-16(24-18(25-19)14-3-1-2-5-22-14)13(11-29-17)20(28)26-8-7-23-15(10-26)12-4-6-21-9-12/h2-7,12,14H,8-11,13H2,1H3,(H,27,28,31);2-8,13,15H,9-12,14H2,1H3,(H,26,27,30);2-8,11,13,18,25H,9-10,12H2,1H3,(H,26,27,29);2-7,9,11,13,16H,8,10,12H2,1H3,(H,25,26,28);1-5,9,11,15,23H,6-8,10H2,(H,24,25,27).

What are the key properties of 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2180.04 g/mol, XLogP of 15.88, 17 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157108435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).