[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C166H249N29O27S8 — CID 157152707

IUPAC[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCN1CCN(CCOc2c(C)nc3sc(C(=O)OC(C)(C)C)c(N)c3c2C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCOCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)CCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(CCCN(C)C)CC1
InChIInChI=1S/C25H41N5O3S.C22H34N4O3S.C21H32N4O3S.C21H34N4O3S.C21H31N3O3S.C19H25N3O5S.C19H25N3O4S.C18H27N3O3S/c1-17-19-20(26)22(24(31)33-25(3,4)5)34-23(19)27-18(2)21(17)32-16-15-30-13-11-29(12-14-30)10-8-9-28(6)7;1-7-25-8-10-26(11-9-25)12-13-28-18-14(2)16-17(23)19(21(27)29-22(4,5)6)30-20(16)24-15(18)3;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25-9-7-24(6)8-10-25;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25(8)10-9-24(6)7;1-13-15-16(22)18(20(25)27-21(3,4)5)28-19(15)23-14(2)17(13)26-12-11-24-9-7-6-8-10-24;1-10-12-13(20)15(17(23)27-19(3,4)5)28-16(12)21-11(2)14(10)26-18(24)22-6-8-25-9-7-22;1-10-12-13(20)15(17(23)26-19(3,4)5)27-16(12)21-11(2)14(10)25-18(24)22-8-6-7-9-22;1-10-12-13(19)15(17(22)24-18(3,4)5)25-16(12)20-11(2)14(10)23-9-8-21(6)7/h8-16,26H2,1-7H3;7-13,23H2,1-6H3;7-12,22H2,1-6H3;9-12,22H2,1-8H3;6-12,22H2,1-5H3;6-9,20H2,1-5H3;6-9,20H2,1-5H3;8-9,19H2,1-7H3
InChIKeyALLCOHQZLPXNEE-UHFFFAOYSA-N
MW3339.53 g/mol
LogP28.30
Rot. Bonds42

About [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 157152707) has the molecular formula C166H249N29O27S8 and a molecular weight of 3339.53 g/mol. Its IUPAC name is [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID157152707
Molecular FormulaC166H249N29O27S8
Molecular Weight3339.53 g/mol
Exact Mass3336.68
IUPAC Name[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCN1CCN(CCOc2c(C)nc3sc(C(=O)OC(C)(C)C)c(N)c3c2C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCOCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)CCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(CCCN(C)C)CC1
InChIInChI=1S/C25H41N5O3S.C22H34N4O3S.C21H32N4O3S.C21H34N4O3S.C21H31N3O3S.C19H25N3O5S.C19H25N3O4S.C18H27N3O3S/c1-17-19-20(26)22(24(31)33-25(3,4)5)34-23(19)27-18(2)21(17)32-16-15-30-13-11-29(12-14-30)10-8-9-28(6)7;1-7-25-8-10-26(11-9-25)12-13-28-18-14(2)16-17(23)19(21(27)29-22(4,5)6)30-20(16)24-15(18)3;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25-9-7-24(6)8-10-25;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25(8)10-9-24(6)7;1-13-15-16(22)18(20(25)27-21(3,4)5)28-19(15)23-14(2)17(13)26-12-11-24-9-7-6-8-10-24;1-10-12-13(20)15(17(23)27-19(3,4)5)28-16(12)21-11(2)14(10)26-18(24)22-6-8-25-9-7-22;1-10-12-13(20)15(17(23)26-19(3,4)5)27-16(12)21-11(2)14(10)25-18(24)22-8-6-7-9-22;1-10-12-13(19)15(17(22)24-18(3,4)5)25-16(12)20-11(2)14(10)23-9-8-21(6)7/h8-16,26H2,1-7H3;7-13,23H2,1-6H3;7-12,22H2,1-6H3;9-12,22H2,1-8H3;6-12,22H2,1-5H3;6-9,20H2,1-5H3;6-9,20H2,1-5H3;8-9,19H2,1-7H3
InChIKeyALLCOHQZLPXNEE-UHFFFAOYSA-N
XLogP28.30
TPSA681.01 Ų
H-Bond Donors8
H-Bond Acceptors62
Rotatable Bonds42
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003339.53
LogP ≤ 528.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 157152707) is [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is CCN1CCN(CCOc2c(C)nc3sc(C(=O)OC(C)(C)C)c(N)c3c2C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCOCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)CCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(CCCN(C)C)CC1.
What is the InChIKey of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ALLCOHQZLPXNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O3S.C22H34N4O3S.C21H32N4O3S.C21H34N4O3S.C21H31N3O3S.C19H25N3O5S.C19H25N3O4S.C18H27N3O3S/c1-17-19-20(26)22(24(31)33-25(3,4)5)34-23(19)27-18(2)21(17)32-16-15-30-13-11-29(12-14-30)10-8-9-28(6)7;1-7-25-8-10-26(11-9-25)12-13-28-18-14(2)16-17(23)19(21(27)29-22(4,5)6)30-20(16)24-15(18)3;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25-9-7-24(6)8-10-25;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25(8)10-9-24(6)7;1-13-15-16(22)18(20(25)27-21(3,4)5)28-19(15)23-14(2)17(13)26-12-11-24-9-7-6-8-10-24;1-10-12-13(20)15(17(23)27-19(3,4)5)28-16(12)21-11(2)14(10)26-18(24)22-6-8-25-9-7-22;1-10-12-13(20)15(17(23)26-19(3,4)5)27-16(12)21-11(2)14(10)25-18(24)22-8-6-7-9-22;1-10-12-13(19)15(17(22)24-18(3,4)5)25-16(12)20-11(2)14(10)23-9-8-21(6)7/h8-16,26H2,1-7H3;7-13,23H2,1-6H3;7-12,22H2,1-6H3;9-12,22H2,1-8H3;6-12,22H2,1-5H3;6-9,20H2,1-5H3;6-9,20H2,1-5H3;8-9,19H2,1-7H3.
What are the key properties of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 3339.53 g/mol, XLogP of 28.30, 42 rotatable bonds, 8 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate;tert-butyl 3-amino-5-[2-(dimethylamino)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-(4-ethylpiperazin-1-yl)ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 157152707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).