N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

C90H83N27O8S5 — CID 161321307

About N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 161321307) has the molecular formula C90H83N27O8S5 and a molecular weight of 1831.17 g/mol. Its IUPAC name is N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 161321307
• Molecular Formula: C90H83N27O8S5
• Molecular Weight: 1831.17 g/mol
• Exact Mass: 1829.55
• IUPAC Name: N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
• SMILES: N#Cc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.N#Cc1cccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.O=C(NCCc1cncs1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1nn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
• InChI: InChI=1S/2C25H22N6O2S.C21H20N6O2S2.C19H19N9O2S/c26-15-18-5-3-4-17(14-18)7-9-28-24(32)19-16-34-25-21(19)23(31-10-12-33-13-11-31)29-22(30-25)20-6-1-2-8-27-20;26-15-18-6-4-17(5-7-18)8-10-28-24(32)19-16-34-25-21(19)23(31-11-13-33-14-12-31)29-22(30-25)20-3-1-2-9-27-20;28-20(24-6-4-14-11-22-13-31-14)15-12-30-21-17(15)19(27-7-9-29-10-8-27)25-18(26-21)16-3-1-2-5-23-16;29-18(21-6-4-14-24-26-27-25-14)12-11-31-19-15(12)17(28-7-9-30-10-8-28)22-16(23-19)13-3-1-2-5-20-13/h1-6,8,14,16H,7,9-13H2,(H,28,32);1-7,9,16H,8,10-14H2,(H,28,32);1-3,5,11-13H,4,6-10H2,(H,24,28);1-3,5,11H,4,6-10H2,(H,21,29)(H,24,25,26,27)
• InChIKey: VKEIQBIDYZRSQF-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 435.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.17
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 161321307) is N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is N#Cc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.N#Cc1cccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.O=C(NCCc1cncs1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1nn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.

What is the InChIKey of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is VKEIQBIDYZRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22N6O2S.C21H20N6O2S2.C19H19N9O2S/c26-15-18-5-3-4-17(14-18)7-9-28-24(32)19-16-34-25-21(19)23(31-10-12-33-13-11-31)29-22(30-25)20-6-1-2-8-27-20;26-15-18-6-4-17(5-7-18)8-10-28-24(32)19-16-34-25-21(19)23(31-11-13-33-14-12-31)29-22(30-25)20-3-1-2-9-27-20;28-20(24-6-4-14-11-22-13-31-14)15-12-30-21-17(15)19(27-7-9-29-10-8-27)25-18(26-21)16-3-1-2-5-23-16;29-18(21-6-4-14-24-26-27-25-14)12-11-31-19-15(12)17(28-7-9-30-10-8-28)22-16(23-19)13-3-1-2-5-20-13/h1-6,8,14,16H,7,9-13H2,(H,28,32);1-7,9,16H,8,10-14H2,(H,28,32);1-3,5,11-13H,4,6-10H2,(H,24,28);1-3,5,11H,4,6-10H2,(H,21,29)(H,24,25,26,27).

What are the key properties of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1831.17 g/mol, XLogP of 10.96, 24 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(4-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 161321307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).