2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

C78H61N19O7S4 — CID 158446495

About 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (PubChem CID 158446495) has the molecular formula C78H61N19O7S4 and a molecular weight of 1504.74 g/mol. Its IUPAC name is 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
• PubChem CID: 158446495
• Molecular Formula: C78H61N19O7S4
• Molecular Weight: 1504.74 g/mol
• Exact Mass: 1503.39
• IUPAC Name: 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
• SMILES: C#Cc1ccc(COCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(COCc1ccccc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(COCc1ccncc1)Nc1nc(-c2ccccn2)nc2sccc12
• InChI: InChI=1S/C22H16N4O2S.C20H16N4O2S.C19H15N5O2S.C17H14N6OS/c1-2-15-6-8-16(9-7-15)13-28-14-19(27)24-20-17-10-12-29-22(17)26-21(25-20)18-5-3-4-11-23-18;25-17(13-26-12-14-6-2-1-3-7-14)22-18-15-9-11-27-20(15)24-19(23-18)16-8-4-5-10-21-16;25-16(12-26-11-13-4-8-20-9-5-13)22-17-14-6-10-27-19(14)24-18(23-17)15-3-1-2-7-21-15;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/h1,3-12H,13-14H2,(H,24,25,26,27);1-11H,12-13H2,(H,22,23,24,25);1-10H,11-12H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24)
• InChIKey: HDLNAPRWHUMUJM-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 329.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1504.74
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

The IUPAC name of 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (CID 158446495) is 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.

What is the SMILES notation for 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

The canonical SMILES for 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is C#Cc1ccc(COCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(COCc1ccccc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(COCc1ccncc1)Nc1nc(-c2ccccn2)nc2sccc12.

What is the InChIKey of 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

The InChIKey is HDLNAPRWHUMUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S.C20H16N4O2S.C19H15N5O2S.C17H14N6OS/c1-2-15-6-8-16(9-7-15)13-28-14-19(27)24-20-17-10-12-29-22(17)26-21(25-20)18-5-3-4-11-23-18;25-17(13-26-12-14-6-2-1-3-7-14)22-18-15-9-11-27-20(15)24-19(23-18)16-8-4-5-10-21-16;25-16(12-26-11-13-4-8-20-9-5-13)22-17-14-6-10-27-19(14)24-18(23-17)15-3-1-2-7-21-15;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/h1,3-12H,13-14H2,(H,24,25,26,27);1-11H,12-13H2,(H,22,23,24,25);1-10H,11-12H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24).

What are the key properties of 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 1504.74 g/mol, XLogP of 14.08, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-ethynylphenyl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-phenylmethoxy-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 158446495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).