(E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione

C160H181N31O16S5 — CID 157129376

IUPAC(E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione
SMILESC=C(C)C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)C/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)OC/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CN(C)C/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C33H38N6O4S.C33H38N6O3S.C32H37N7O3S.C32H36N6O3S.C30H32N6O3S/c1-22(2)43-17-5-7-24(40)6-3-10-30(41)38-13-11-23(12-14-38)29-20-28-31(44-29)33(39-15-18-42-19-16-39)36-32(35-28)25-8-4-9-27-26(25)21-34-37-27;1-22(2)6-3-7-24(40)8-4-11-30(41)38-14-12-23(13-15-38)29-20-28-31(43-29)33(39-16-18-42-19-17-39)36-32(35-28)25-9-5-10-27-26(25)21-34-37-27;1-37(2)13-5-7-23(40)6-3-10-29(41)38-14-11-22(12-15-38)28-20-27-30(43-28)32(39-16-18-42-19-17-39)35-31(34-27)24-8-4-9-26-25(24)21-33-36-26;1-21(2)9-10-23(39)5-3-8-29(40)37-13-11-22(12-14-37)28-19-27-30(42-28)32(38-15-17-41-18-16-38)35-31(34-27)24-6-4-7-26-25(24)20-33-36-26;1-19(2)25(37)7-4-8-27(38)35-11-9-20(10-12-35)26-17-24-28(40-26)30(36-13-15-39-16-14-36)33-29(32-24)21-5-3-6-23-22(21)18-31-34-23/h4-5,7-9,11,20-22H,3,6,10,12-19H2,1-2H3,(H,34,37);3,5,7,9-10,12,20-22H,4,6,8,11,13-19H2,1-2H3,(H,34,37);4-5,7-9,11,20-21H,3,6,10,12-19H2,1-2H3,(H,33,36);4,6-7,9-11,19-21H,3,5,8,12-18H2,1-2H3,(H,33,36);3,5-6,9,17-18H,1,4,7-8,10-16H2,2H3,(H,31,34)/b7-5+;7-3+;7-5+;10-9+;
InChIKeyAIWOBJVWFLUKRF-TXAWATQWSA-N
MW2954.74 g/mol
LogP26.62
Rot. Bonds48

About (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione

(E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione (PubChem CID 157129376) has the molecular formula C160H181N31O16S5 and a molecular weight of 2954.74 g/mol. Its IUPAC name is (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione.

Molecular Properties

Compound Name(E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione
PubChem CID157129376
Molecular FormulaC160H181N31O16S5
Molecular Weight2954.74 g/mol
Exact Mass2952.29
IUPAC Name(E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione
SMILESC=C(C)C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)C/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)OC/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CN(C)C/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C33H38N6O4S.C33H38N6O3S.C32H37N7O3S.C32H36N6O3S.C30H32N6O3S/c1-22(2)43-17-5-7-24(40)6-3-10-30(41)38-13-11-23(12-14-38)29-20-28-31(44-29)33(39-15-18-42-19-16-39)36-32(35-28)25-8-4-9-27-26(25)21-34-37-27;1-22(2)6-3-7-24(40)8-4-11-30(41)38-14-12-23(13-15-38)29-20-28-31(43-29)33(39-16-18-42-19-17-39)36-32(35-28)25-9-5-10-27-26(25)21-34-37-27;1-37(2)13-5-7-23(40)6-3-10-29(41)38-14-11-22(12-15-38)28-20-27-30(43-28)32(39-16-18-42-19-17-39)35-31(34-27)24-8-4-9-26-25(24)21-33-36-26;1-21(2)9-10-23(39)5-3-8-29(40)37-13-11-22(12-14-37)28-19-27-30(42-28)32(38-15-17-41-18-16-38)35-31(34-27)24-6-4-7-26-25(24)20-33-36-26;1-19(2)25(37)7-4-8-27(38)35-11-9-20(10-12-35)26-17-24-28(40-26)30(36-13-15-39-16-14-36)33-29(32-24)21-5-3-6-23-22(21)18-31-34-23/h4-5,7-9,11,20-22H,3,6,10,12-19H2,1-2H3,(H,34,37);3,5,7,9-10,12,20-22H,4,6,8,11,13-19H2,1-2H3,(H,34,37);4-5,7-9,11,20-21H,3,6,10,12-19H2,1-2H3,(H,33,36);4,6-7,9-11,19-21H,3,5,8,12-18H2,1-2H3,(H,33,36);3,5-6,9,17-18H,1,4,7-8,10-16H2,2H3,(H,31,34)/b7-5+;7-3+;7-5+;10-9+;
InChIKeyAIWOBJVWFLUKRF-TXAWATQWSA-N
XLogP26.62
TPSA534.02 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds48
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002954.74
LogP ≤ 526.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione?
The IUPAC name of (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione (CID 157129376) is (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione.
What is the SMILES notation for (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione?
The canonical SMILES for (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione is C=C(C)C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)C/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CC(C)OC/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CN(C)C/C=C/C(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione?
The InChIKey is AIWOBJVWFLUKRF-TXAWATQWSA-N. The full InChI is InChI=1S/C33H38N6O4S.C33H38N6O3S.C32H37N7O3S.C32H36N6O3S.C30H32N6O3S/c1-22(2)43-17-5-7-24(40)6-3-10-30(41)38-13-11-23(12-14-38)29-20-28-31(44-29)33(39-15-18-42-19-16-39)36-32(35-28)25-8-4-9-27-26(25)21-34-37-27;1-22(2)6-3-7-24(40)8-4-11-30(41)38-14-12-23(13-15-38)29-20-28-31(43-29)33(39-16-18-42-19-17-39)36-32(35-28)25-9-5-10-27-26(25)21-34-37-27;1-37(2)13-5-7-23(40)6-3-10-29(41)38-14-11-22(12-15-38)28-20-27-30(43-28)32(39-16-18-42-19-17-39)35-31(34-27)24-8-4-9-26-25(24)21-33-36-26;1-21(2)9-10-23(39)5-3-8-29(40)37-13-11-22(12-14-37)28-19-27-30(42-28)32(38-15-17-41-18-16-38)35-31(34-27)24-6-4-7-26-25(24)20-33-36-26;1-19(2)25(37)7-4-8-27(38)35-11-9-20(10-12-35)26-17-24-28(40-26)30(36-13-15-39-16-14-36)33-29(32-24)21-5-3-6-23-22(21)18-31-34-23/h4-5,7-9,11,20-22H,3,6,10,12-19H2,1-2H3,(H,34,37);3,5,7,9-10,12,20-22H,4,6,8,11,13-19H2,1-2H3,(H,34,37);4-5,7-9,11,20-21H,3,6,10,12-19H2,1-2H3,(H,33,36);4,6-7,9-11,19-21H,3,5,8,12-18H2,1-2H3,(H,33,36);3,5-6,9,17-18H,1,4,7-8,10-16H2,2H3,(H,31,34)/b7-5+;7-3+;7-5+;10-9+;.
What are the key properties of (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione?
(E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione has a molecular weight of 2954.74 g/mol, XLogP of 26.62, 48 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(dimethylamino)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]oct-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-9-methyldec-6-ene-1,5-dione;1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-methylhept-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-methylnon-6-ene-1,5-dione;(E)-1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-8-propan-2-yloxyoct-6-ene-1,5-dione is sourced from PubChem (CID 157129376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).