2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

C85H63N19O5S4 — CID 158933830

About 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 158933830) has the molecular formula C85H63N19O5S4 and a molecular weight of 1558.83 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
• PubChem CID: 158933830
• Molecular Formula: C85H63N19O5S4
• Molecular Weight: 1558.83 g/mol
• Exact Mass: 1557.41
• IUPAC Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
• SMILES: CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.COc1ccc2c(c1)CCC2C(=O)Nc1nc(-c2ccccn2)nc2sccc12.N#Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1
• InChI: InChI=1S/C22H17N5OS.C22H18N4O2S.C21H15N5OS.C20H13N5OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-28-14-6-8-15-13(12-14)5-7-16(15)21(27)25-19-17-9-11-29-22(17)26-20(24-19)18-4-2-3-10-23-18;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;21-12-14-6-4-13(5-7-14)11-17(26)23-18-15-8-10-27-20(15)25-19(24-18)16-3-1-2-9-22-16/h3-12H,1-2H3,(H,25,26,27,28);2-4,6,8-12,16H,5,7H2,1H3,(H,24,25,26,27);2-11,13H,1H3,(H,24,25,26,27);1-10H,11H2,(H,23,24,25,26)
• InChIKey: JJKBUBMVCFEAAR-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 351.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.83
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?

The IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (CID 158933830) is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.

What is the SMILES notation for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?

The canonical SMILES for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.COc1ccc2c(c1)CCC2C(=O)Nc1nc(-c2ccccn2)nc2sccc12.N#Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1.

What is the InChIKey of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?

The InChIKey is JJKBUBMVCFEAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS.C22H18N4O2S.C21H15N5OS.C20H13N5OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-28-14-6-8-15-13(12-14)5-7-16(15)21(27)25-19-17-9-11-29-22(17)26-20(24-19)18-4-2-3-10-23-18;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;21-12-14-6-4-13(5-7-14)11-17(26)23-18-15-8-10-27-20(15)25-19(24-18)16-3-1-2-9-22-16/h3-12H,1-2H3,(H,25,26,27,28);2-4,6,8-12,16H,5,7H2,1H3,(H,24,25,26,27);2-11,13H,1H3,(H,24,25,26,27);1-10H,11H2,(H,23,24,25,26).

What are the key properties of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 1558.83 g/mol, XLogP of 17.15, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;5-methoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 158933830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).