N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone

C222H221N45O7S9 — CID 159994011

IUPACN-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)CNC(=O)CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.O=C(C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)NC1CC1.OC1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.OC1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCN(CCN5CCCC5)CC4)c23)cc1.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.c1ccc(-c2csc3nc(-c4ccccn4)nc(NC4CCCC4)c23)cc1
InChIInChI=1S/C28H29N5OS.C27H28N6OS.C27H30N6OS.C27H30N6S.C26H26N6OS.2C22H20N4OS.C22H20N4S.C21H18N4OS/c34-28(33-15-7-2-8-16-33)21-12-17-32(18-13-21)26-24-22(20-9-3-1-4-10-20)19-35-27(24)31-25(30-26)23-11-5-6-14-29-23;34-23(32-12-6-7-13-32)18-31-14-16-33(17-15-31)26-24-21(20-8-2-1-3-9-20)19-35-27(24)30-25(29-26)22-10-4-5-11-28-22;1-19(2)16-29-23(34)17-32-12-14-33(15-13-32)26-24-21(20-8-4-3-5-9-20)18-35-27(24)31-25(30-26)22-10-6-7-11-28-22;1-2-8-21(9-3-1)22-20-34-27-24(22)26(29-25(30-27)23-10-4-5-11-28-23)33-18-16-32(17-19-33)15-14-31-12-6-7-13-31;33-22(28-19-9-10-19)16-31-12-14-32(15-13-31)25-23-20(18-6-2-1-3-7-18)17-34-26(23)30-24(29-25)21-8-4-5-11-27-21;27-16-9-6-12-26(13-16)21-19-17(15-7-2-1-3-8-15)14-28-22(19)25-20(24-21)18-10-4-5-11-23-18;27-16-9-12-26(13-10-16)21-19-17(15-6-2-1-3-7-15)14-28-22(19)25-20(24-21)18-8-4-5-11-23-18;1-2-8-15(9-3-1)17-14-27-22-19(17)21(24-16-10-4-5-11-16)25-20(26-22)18-12-6-7-13-23-18;1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17/h1,3-6,9-11,14,19,21H,2,7-8,12-13,15-18H2;1-5,8-11,19H,6-7,12-18H2;3-11,18-19H,12-17H2,1-2H3,(H,29,34);1-5,8-11,20H,6-7,12-19H2;1-8,11,17,19H,9-10,12-16H2,(H,28,33);1-5,7-8,10-11,14,16,27H,6,9,12-13H2;1-8,11,14,16,27H,9-10,12-13H2;1-3,6-9,12-14,16H,4-5,10-11H2,(H,24,25,26);1-9,14H,10-13H2
InChIKeyOHHUCNBJYCPWFL-UHFFFAOYSA-N
MW3920.12 g/mol
LogP41.38
Rot. Bonds41

About N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone

N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 159994011) has the molecular formula C222H221N45O7S9 and a molecular weight of 3920.12 g/mol. Its IUPAC name is N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound NameN-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID159994011
Molecular FormulaC222H221N45O7S9
Molecular Weight3920.12 g/mol
Exact Mass3916.58
IUPAC NameN-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)CNC(=O)CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.O=C(C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)NC1CC1.OC1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.OC1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCN(CCN5CCCC5)CC4)c23)cc1.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.c1ccc(-c2csc3nc(-c4ccccn4)nc(NC4CCCC4)c23)cc1
InChIInChI=1S/C28H29N5OS.C27H28N6OS.C27H30N6OS.C27H30N6S.C26H26N6OS.2C22H20N4OS.C22H20N4S.C21H18N4OS/c34-28(33-15-7-2-8-16-33)21-12-17-32(18-13-21)26-24-22(20-9-3-1-4-10-20)19-35-27(24)31-25(30-26)23-11-5-6-14-29-23;34-23(32-12-6-7-13-32)18-31-14-16-33(17-15-31)26-24-21(20-8-2-1-3-9-20)19-35-27(24)30-25(29-26)22-10-4-5-11-28-22;1-19(2)16-29-23(34)17-32-12-14-33(15-13-32)26-24-21(20-8-4-3-5-9-20)18-35-27(24)31-25(30-26)22-10-6-7-11-28-22;1-2-8-21(9-3-1)22-20-34-27-24(22)26(29-25(30-27)23-10-4-5-11-28-23)33-18-16-32(17-19-33)15-14-31-12-6-7-13-31;33-22(28-19-9-10-19)16-31-12-14-32(15-13-31)25-23-20(18-6-2-1-3-7-18)17-34-26(23)30-24(29-25)21-8-4-5-11-27-21;27-16-9-6-12-26(13-16)21-19-17(15-7-2-1-3-8-15)14-28-22(19)25-20(24-21)18-10-4-5-11-23-18;27-16-9-12-26(13-10-16)21-19-17(15-6-2-1-3-7-15)14-28-22(19)25-20(24-21)18-8-4-5-11-23-18;1-2-8-15(9-3-1)17-14-27-22-19(17)21(24-16-10-4-5-11-16)25-20(26-22)18-12-6-7-13-23-18;1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17/h1,3-6,9-11,14,19,21H,2,7-8,12-13,15-18H2;1-5,8-11,19H,6-7,12-18H2;3-11,18-19H,12-17H2,1-2H3,(H,29,34);1-5,8-11,20H,6-7,12-19H2;1-8,11,17,19H,9-10,12-16H2,(H,28,33);1-5,7-8,10-11,14,16,27H,6,9,12-13H2;1-8,11,14,16,27H,9-10,12-13H2;1-3,6-9,12-14,16H,4-5,10-11H2,(H,24,25,26);1-9,14H,10-13H2
InChIKeyOHHUCNBJYCPWFL-UHFFFAOYSA-N
XLogP41.38
TPSA550.69 Ų
H-Bond Donors5
H-Bond Acceptors57
Rotatable Bonds41
Heavy Atoms283
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003920.12
LogP ≤ 541.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1057

Analyze N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 159994011) is N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone is CC(C)CNC(=O)CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.O=C(C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)NC1CC1.OC1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.OC1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCN(CCN5CCCC5)CC4)c23)cc1.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.c1ccc(-c2csc3nc(-c4ccccn4)nc(NC4CCCC4)c23)cc1.
What is the InChIKey of N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OHHUCNBJYCPWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5OS.C27H28N6OS.C27H30N6OS.C27H30N6S.C26H26N6OS.2C22H20N4OS.C22H20N4S.C21H18N4OS/c34-28(33-15-7-2-8-16-33)21-12-17-32(18-13-21)26-24-22(20-9-3-1-4-10-20)19-35-27(24)31-25(30-26)23-11-5-6-14-29-23;34-23(32-12-6-7-13-32)18-31-14-16-33(17-15-31)26-24-21(20-8-2-1-3-9-20)19-35-27(24)30-25(29-26)22-10-4-5-11-28-22;1-19(2)16-29-23(34)17-32-12-14-33(15-13-32)26-24-21(20-8-4-3-5-9-20)18-35-27(24)31-25(30-26)22-10-6-7-11-28-22;1-2-8-21(9-3-1)22-20-34-27-24(22)26(29-25(30-27)23-10-4-5-11-28-23)33-18-16-32(17-19-33)15-14-31-12-6-7-13-31;33-22(28-19-9-10-19)16-31-12-14-32(15-13-31)25-23-20(18-6-2-1-3-7-18)17-34-26(23)30-24(29-25)21-8-4-5-11-27-21;27-16-9-6-12-26(13-16)21-19-17(15-7-2-1-3-8-15)14-28-22(19)25-20(24-21)18-10-4-5-11-23-18;27-16-9-12-26(13-10-16)21-19-17(15-6-2-1-3-7-15)14-28-22(19)25-20(24-21)18-8-4-5-11-23-18;1-2-8-15(9-3-1)17-14-27-22-19(17)21(24-16-10-4-5-11-16)25-20(26-22)18-12-6-7-13-23-18;1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17/h1,3-6,9-11,14,19,21H,2,7-8,12-13,15-18H2;1-5,8-11,19H,6-7,12-18H2;3-11,18-19H,12-17H2,1-2H3,(H,29,34);1-5,8-11,20H,6-7,12-19H2;1-8,11,17,19H,9-10,12-16H2,(H,28,33);1-5,7-8,10-11,14,16,27H,6,9,12-13H2;1-8,11,14,16,27H,9-10,12-13H2;1-3,6-9,12-14,16H,4-5,10-11H2,(H,24,25,26);1-9,14H,10-13H2.
What are the key properties of N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 3920.12 g/mol, XLogP of 41.38, 41 rotatable bonds, 5 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;5-phenyl-2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ol;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159994011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).