(E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide

C152H150N26O15S5 — CID 160632862

About (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide

(E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide (PubChem CID 160632862) has the molecular formula C152H150N26O15S5 and a molecular weight of 2741.37 g/mol. Its IUPAC name is (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide
• PubChem CID: 160632862
• Molecular Formula: C152H150N26O15S5
• Molecular Weight: 2741.37 g/mol
• Exact Mass: 2739.04
• IUPAC Name: (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide
• SMILES: C/C=C/C(=O)CCC(=O)N1CCc2cc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)ccc2C1.C/C=C/C(=O)CCC(=O)NC1CCN(c2ccc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)cc2)CC1.C=CC(=O)N1CCc2ccc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)cc2C1.C=CC(=O)NC1CCN(c2ccc(-c3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)cc2)CC1.C=CC(=O)NCc1ccc(-c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)cc1
• InChI: InChI=1S/C34H37N5O4S.C32H32N4O4S.C31H31N7O2S.C28H26N4O3S.C27H24N6O2S/c1-2-4-27(40)11-12-31(42)35-25-13-15-38(16-14-25)26-9-7-23(8-10-26)30-22-29-32(44-30)34(39-17-19-43-20-18-39)37-33(36-29)24-5-3-6-28(41)21-24;1-2-4-25(37)9-10-29(39)36-12-11-21-17-22(7-8-24(21)20-36)28-19-27-30(41-28)32(35-13-15-40-16-14-35)34-31(33-27)23-5-3-6-26(38)18-23;1-2-28(39)33-21-10-12-37(13-11-21)22-8-6-20(7-9-22)27-18-26-29(41-27)31(38-14-16-40-17-15-38)35-30(34-26)23-4-3-5-25-24(23)19-32-36-25;1-2-25(34)32-9-8-18-6-7-19(14-21(18)17-32)24-16-23-26(36-24)28(31-10-12-35-13-11-31)30-27(29-23)20-4-3-5-22(33)15-20;1-2-24(34)28-15-17-6-8-18(9-7-17)23-14-22-25(36-23)27(33-10-12-35-13-11-33)31-26(30-22)19-4-3-5-21-20(19)16-29-32-21/h2-10,21-22,25,41H,11-20H2,1H3,(H,35,42);2-8,17-19,38H,9-16,20H2,1H3;2-9,18-19,21H,1,10-17H2,(H,32,36)(H,33,39);2-7,14-16,33H,1,8-13,17H2;2-9,14,16H,1,10-13,15H2,(H,28,34)(H,29,32)/b2*4-2+
• InChIKey: RIDLYWOPNJTDBE-SMCGPUKBSA-N
• XLogP: 25.14
• TPSA: 477.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2741.37
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide?

The IUPAC name of (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide (CID 160632862) is (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide.

What is the SMILES notation for (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide?

The canonical SMILES for (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide is C/C=C/C(=O)CCC(=O)N1CCc2cc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)ccc2C1.C/C=C/C(=O)CCC(=O)NC1CCN(c2ccc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)cc2)CC1.C=CC(=O)N1CCc2ccc(-c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)cc2C1.C=CC(=O)NC1CCN(c2ccc(-c3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)cc2)CC1.C=CC(=O)NCc1ccc(-c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)cc1.

What is the InChIKey of (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide?

The InChIKey is RIDLYWOPNJTDBE-SMCGPUKBSA-N. The full InChI is InChI=1S/C34H37N5O4S.C32H32N4O4S.C31H31N7O2S.C28H26N4O3S.C27H24N6O2S/c1-2-4-27(40)11-12-31(42)35-25-13-15-38(16-14-25)26-9-7-23(8-10-26)30-22-29-32(44-30)34(39-17-19-43-20-18-39)37-33(36-29)24-5-3-6-28(41)21-24;1-2-4-25(37)9-10-29(39)36-12-11-21-17-22(7-8-24(21)20-36)28-19-27-30(41-28)32(35-13-15-40-16-14-35)34-31(33-27)23-5-3-6-26(38)18-23;1-2-28(39)33-21-10-12-37(13-11-21)22-8-6-20(7-9-22)27-18-26-29(41-27)31(38-14-16-40-17-15-38)35-30(34-26)23-4-3-5-25-24(23)19-32-36-25;1-2-25(34)32-9-8-18-6-7-19(14-21(18)17-32)24-16-23-26(36-24)28(31-10-12-35-13-11-31)30-27(29-23)20-4-3-5-22(33)15-20;1-2-24(34)28-15-17-6-8-18(9-7-17)23-14-22-25(36-23)27(33-10-12-35-13-11-33)31-26(30-22)19-4-3-5-21-20(19)16-29-32-21/h2-10,21-22,25,41H,11-20H2,1H3,(H,35,42);2-8,17-19,38H,9-16,20H2,1H3;2-9,18-19,21H,1,10-17H2,(H,32,36)(H,33,39);2-7,14-16,33H,1,8-13,17H2;2-9,14,16H,1,10-13,15H2,(H,28,34)(H,29,32)/b2*4-2+;;;.

What are the key properties of (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide?

(E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide has a molecular weight of 2741.37 g/mol, XLogP of 25.14, 32 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[6-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione;1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[1-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]-4-oxohept-5-enamide;N-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]prop-2-enamide;N-[1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 160632862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).