(E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione

C150H157N23O21S5 — CID 160755168

About (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione

(E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione (PubChem CID 160755168) has the molecular formula C150H157N23O21S5 and a molecular weight of 2778.38 g/mol. Its IUPAC name is (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione.

Molecular Properties

• Compound Name: (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione
• PubChem CID: 160755168
• Molecular Formula: C150H157N23O21S5
• Molecular Weight: 2778.38 g/mol
• Exact Mass: 2776.05
• IUPAC Name: (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione
• SMILES: C/C=C/C(=O)CCC(=O)N1CCC(O)(C#Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C/C=C/C(=O)CCC(=O)N1CCN(c2ccc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)cc2)CC1.C=C(C)C(=O)CCC(=O)N1CCC(C#Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C=C(C)C(=O)CCC(=O)N1CCC(O)(C#Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)N1CCC(O)(C#Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
• InChI: InChI=1S/C33H35N5O4S.2C30H32N4O5S.C30H32N4O4S.C27H26N6O3S/c1-2-4-26(39)11-12-30(41)37-15-13-36(14-16-37)25-9-7-23(8-10-25)29-22-28-31(43-29)33(38-17-19-42-20-18-38)35-32(34-28)24-5-3-6-27(40)21-24;1-20(2)25(36)6-7-26(37)33-12-10-30(38,11-13-33)9-8-23-19-24-27(40-23)29(34-14-16-39-17-15-34)32-28(31-24)21-4-3-5-22(35)18-21;1-2-4-22(35)7-8-26(37)33-13-11-30(38,12-14-33)10-9-24-20-25-27(40-24)29(34-15-17-39-18-16-34)32-28(31-25)21-5-3-6-23(36)19-21;1-20(2)26(36)8-9-27(37)33-12-10-21(11-13-33)6-7-24-19-25-28(39-24)30(34-14-16-38-17-15-34)32-29(31-25)22-4-3-5-23(35)18-22;1-2-23(34)32-10-8-27(35,9-11-32)7-6-18-16-22-24(37-18)26(33-12-14-36-15-13-33)30-25(29-22)19-4-3-5-21-20(19)17-28-31-21/h2-10,21-22,40H,11-20H2,1H3;3-5,18-19,35,38H,1,6-7,10-17H2,2H3;2-6,19-20,36,38H,7-8,11-18H2,1H3;3-5,18-19,21,35H,1,8-17H2,2H3;2-5,16-17,35H,1,8-15H2,(H,28,31)/b4-2+;;4-2+
• InChIKey: RXIIETZVLSGJGI-GROSJPMWSA-N
• XLogP: 19.58
• TPSA: 534.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 29
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2778.38
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione?

The IUPAC name of (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione (CID 160755168) is (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione.

What is the SMILES notation for (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione?

The canonical SMILES for (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione is C/C=C/C(=O)CCC(=O)N1CCC(O)(C#Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C/C=C/C(=O)CCC(=O)N1CCN(c2ccc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)cc2)CC1.C=C(C)C(=O)CCC(=O)N1CCC(C#Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C=C(C)C(=O)CCC(=O)N1CCC(O)(C#Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)N1CCC(O)(C#Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.

What is the InChIKey of (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione?

The InChIKey is RXIIETZVLSGJGI-GROSJPMWSA-N. The full InChI is InChI=1S/C33H35N5O4S.2C30H32N4O5S.C30H32N4O4S.C27H26N6O3S/c1-2-4-26(39)11-12-30(41)37-15-13-36(14-16-37)25-9-7-23(8-10-25)29-22-28-31(43-29)33(38-17-19-42-20-18-38)35-32(34-28)24-5-3-6-27(40)21-24;1-20(2)25(36)6-7-26(37)33-12-10-30(38,11-13-33)9-8-23-19-24-27(40-23)29(34-14-16-39-17-15-34)32-28(31-24)21-4-3-5-22(35)18-21;1-2-4-22(35)7-8-26(37)33-13-11-30(38,12-14-33)10-9-24-20-25-27(40-24)29(34-15-17-39-18-16-34)32-28(31-25)21-5-3-6-23(36)19-21;1-20(2)26(36)8-9-27(37)33-12-10-21(11-13-33)6-7-24-19-25-28(39-24)30(34-14-16-38-17-15-34)32-29(31-25)22-4-3-5-23(35)18-22;1-2-23(34)32-10-8-27(35,9-11-32)7-6-18-16-22-24(37-18)26(33-12-14-36-15-13-33)30-25(29-22)19-4-3-5-21-20(19)17-28-31-21/h2-10,21-22,40H,11-20H2,1H3;3-5,18-19,35,38H,1,6-7,10-17H2,2H3;2-6,19-20,36,38H,7-8,11-18H2,1H3;3-5,18-19,21,35H,1,8-17H2,2H3;2-5,16-17,35H,1,8-15H2,(H,28,31)/b4-2+;;4-2+;;.

What are the key properties of (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione?

(E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione has a molecular weight of 2778.38 g/mol, XLogP of 19.58, 29 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]hept-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;1-[4-hydroxy-4-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione;(E)-1-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperazin-1-yl]hept-5-ene-1,4-dione is sourced from PubChem (CID 160755168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).