2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide

C72H56N24O4S4 — CID 158900421

About 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide

2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide (PubChem CID 158900421) has the molecular formula C72H56N24O4S4 and a molecular weight of 1449.67 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide
• PubChem CID: 158900421
• Molecular Formula: C72H56N24O4S4
• Molecular Weight: 1449.67 g/mol
• Exact Mass: 1448.38
• IUPAC Name: 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide
• SMILES: CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.O=C(CCC1=NCN=N1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCc1cncnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12
• InChI: InChI=1S/C21H15N5OS.C18H14N6OS.C17H14N6OS.C16H13N7OS/c1-13(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;25-15(5-4-12-9-19-11-20-10-12)22-16-13-6-8-26-18(13)24-17(23-16)14-3-1-2-7-21-14;24-14(4-8-23-9-7-18-11-23)20-15-12-5-10-25-17(12)22-16(21-15)13-3-1-2-6-19-13;24-13(5-4-12-18-9-19-23-12)20-14-10-6-8-25-16(10)22-15(21-14)11-3-1-2-7-17-11/h2-11,13H,1H3,(H,24,25,26,27);1-3,6-11H,4-5H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24);1-3,6-8H,4-5,9H2,(H,20,21,22,24)
• InChIKey: JFJHARGOCWGQPG-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 375.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.67
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide?

The IUPAC name of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide (CID 158900421) is 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide.

What is the SMILES notation for 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide?

The canonical SMILES for 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide is CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.O=C(CCC1=NCN=N1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCc1cncnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12.

What is the InChIKey of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide?

The InChIKey is JFJHARGOCWGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS.C18H14N6OS.C17H14N6OS.C16H13N7OS/c1-13(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;25-15(5-4-12-9-19-11-20-10-12)22-16-13-6-8-26-18(13)24-17(23-16)14-3-1-2-7-21-14;24-14(4-8-23-9-7-18-11-23)20-15-12-5-10-25-17(12)22-16(21-15)13-3-1-2-6-19-13;24-13(5-4-12-18-9-19-23-12)20-14-10-6-8-25-16(10)22-15(21-14)11-3-1-2-7-17-11/h2-11,13H,1H3,(H,24,25,26,27);1-3,6-11H,4-5H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24);1-3,6-8H,4-5,9H2,(H,20,21,22,24).

What are the key properties of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide?

2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 1449.67 g/mol, XLogP of 13.75, 19 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-(3H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 158900421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).