tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride

C197H213ClF6N14O33S6 — CID 160974431

IUPACtert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride
SMILESCCC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)COCCOC.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)CO.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)OC(C)(C)C.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(C)=O.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1)C(=O)OC(C)(C)C.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1.COCCOCC(=O)Cl.NC1CC1.O=C(O)CO
InChIInChI=1S/C34H35FN2O6S.C34H37FN2O5S.C31H31FN2O5S.C31H31FN2O4S.C29H29FN2O3S.C28H30FN3O4S.C5H9ClO3.C3H7N.C2H4O3/c1-3-32(39)37(33(40)21-42-15-14-41-2)20-23-6-9-25(10-7-23)31-19-28-34(44-31)30(12-13-36-28)43-29-11-8-24(18-27(29)35)17-26(38)16-22-4-5-22;1-34(2,3)42-33(39)37(15-16-40-4)21-23-7-10-25(11-8-23)31-20-28-32(43-31)30(13-14-36-28)41-29-12-9-24(19-27(29)35)18-26(38)17-22-5-6-22;1-38-13-12-34(30(37)19-35)18-21-4-7-23(8-5-21)29-17-26-31(40-29)28(10-11-33-26)39-27-9-6-22(16-25(27)32)15-24(36)14-20-2-3-20;1-20(35)34(13-14-37-2)19-22-5-8-24(9-6-22)30-18-27-31(39-30)29(11-12-33-27)38-28-10-7-23(17-26(28)32)16-25(36)15-21-3-4-21;1-34-13-12-31-18-20-4-7-22(8-5-20)28-17-25-29(36-28)27(10-11-32-25)35-26-9-6-21(16-24(26)30)15-23(33)14-19-2-3-19;1-28(2,3)36-27(33)32(13-14-34-4)17-18-5-7-19(8-6-18)25-16-22-26(37-25)24(11-12-31-22)35-23-10-9-20(30)15-21(23)29;1-8-2-3-9-4-5(6)7;4-3-1-2-3;3-1-2(4)5/h6-13,18-19,22H,3-5,14-17,20-21H2,1-2H3;7-14,19-20,22H,5-6,15-18,21H2,1-4H3;4-11,16-17,20,35H,2-3,12-15,18-19H2,1H3;5-12,17-18,21H,3-4,13-16,19H2,1-2H3;4-11,16-17,19,31H,2-3,12-15,18H2,1H3;5-12,15-16H,13-14,17,30H2,1-4H3;2-4H2,1H3;3H,1-2,4H2;3H,1H2,(H,4,5)
InChIKeySYRFBPHHEZUEIN-UHFFFAOYSA-N
MW3646.78 g/mol
LogP40.49
Rot. Bonds78

About tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride

tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride (PubChem CID 160974431) has the molecular formula C197H213ClF6N14O33S6 and a molecular weight of 3646.78 g/mol. Its IUPAC name is tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride.

Molecular Properties

Compound Nametert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride
PubChem CID160974431
Molecular FormulaC197H213ClF6N14O33S6
Molecular Weight3646.78 g/mol
Exact Mass3643.33
IUPAC Nametert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride
SMILESCCC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)COCCOC.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)CO.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)OC(C)(C)C.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(C)=O.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1)C(=O)OC(C)(C)C.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1.COCCOCC(=O)Cl.NC1CC1.O=C(O)CO
InChIInChI=1S/C34H35FN2O6S.C34H37FN2O5S.C31H31FN2O5S.C31H31FN2O4S.C29H29FN2O3S.C28H30FN3O4S.C5H9ClO3.C3H7N.C2H4O3/c1-3-32(39)37(33(40)21-42-15-14-41-2)20-23-6-9-25(10-7-23)31-19-28-34(44-31)30(12-13-36-28)43-29-11-8-24(18-27(29)35)17-26(38)16-22-4-5-22;1-34(2,3)42-33(39)37(15-16-40-4)21-23-7-10-25(11-8-23)31-20-28-32(43-31)30(13-14-36-28)41-29-12-9-24(19-27(29)35)18-26(38)17-22-5-6-22;1-38-13-12-34(30(37)19-35)18-21-4-7-23(8-5-21)29-17-26-31(40-29)28(10-11-33-26)39-27-9-6-22(16-25(27)32)15-24(36)14-20-2-3-20;1-20(35)34(13-14-37-2)19-22-5-8-24(9-6-22)30-18-27-31(39-30)29(11-12-33-27)38-28-10-7-23(17-26(28)32)16-25(36)15-21-3-4-21;1-34-13-12-31-18-20-4-7-22(8-5-20)28-17-25-29(36-28)27(10-11-32-25)35-26-9-6-21(16-24(26)30)15-23(33)14-19-2-3-19;1-28(2,3)36-27(33)32(13-14-34-4)17-18-5-7-19(8-6-18)25-16-22-26(37-25)24(11-12-31-22)35-23-10-9-20(30)15-21(23)29;1-8-2-3-9-4-5(6)7;4-3-1-2-3;3-1-2(4)5/h6-13,18-19,22H,3-5,14-17,20-21H2,1-2H3;7-14,19-20,22H,5-6,15-18,21H2,1-4H3;4-11,16-17,20,35H,2-3,12-15,18-19H2,1H3;5-12,17-18,21H,3-4,13-16,19H2,1-2H3;4-11,16-17,19,31H,2-3,12-15,18H2,1H3;5-12,15-16H,13-14,17,30H2,1-4H3;2-4H2,1H3;3H,1-2,4H2;3H,1H2,(H,4,5)
InChIKeySYRFBPHHEZUEIN-UHFFFAOYSA-N
XLogP40.49
TPSA597.12 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds78
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003646.78
LogP ≤ 540.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride?
The IUPAC name of tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride (CID 160974431) is tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride.
What is the SMILES notation for tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride?
The canonical SMILES for tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride is CCC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)COCCOC.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)CO.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)OC(C)(C)C.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(C)=O.COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1)C(=O)OC(C)(C)C.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1.COCCOCC(=O)Cl.NC1CC1.O=C(O)CO.
What is the InChIKey of tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride?
The InChIKey is SYRFBPHHEZUEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN2O6S.C34H37FN2O5S.C31H31FN2O5S.C31H31FN2O4S.C29H29FN2O3S.C28H30FN3O4S.C5H9ClO3.C3H7N.C2H4O3/c1-3-32(39)37(33(40)21-42-15-14-41-2)20-23-6-9-25(10-7-23)31-19-28-34(44-31)30(12-13-36-28)43-29-11-8-24(18-27(29)35)17-26(38)16-22-4-5-22;1-34(2,3)42-33(39)37(15-16-40-4)21-23-7-10-25(11-8-23)31-20-28-32(43-31)30(13-14-36-28)41-29-12-9-24(19-27(29)35)18-26(38)17-22-5-6-22;1-38-13-12-34(30(37)19-35)18-21-4-7-23(8-5-21)29-17-26-31(40-29)28(10-11-33-26)39-27-9-6-22(16-25(27)32)15-24(36)14-20-2-3-20;1-20(35)34(13-14-37-2)19-22-5-8-24(9-6-22)30-18-27-31(39-30)29(11-12-33-27)38-28-10-7-23(17-26(28)32)16-25(36)15-21-3-4-21;1-34-13-12-31-18-20-4-7-22(8-5-20)28-17-25-29(36-28)27(10-11-32-25)35-26-9-6-21(16-24(26)30)15-23(33)14-19-2-3-19;1-28(2,3)36-27(33)32(13-14-34-4)17-18-5-7-19(8-6-18)25-16-22-26(37-25)24(11-12-31-22)35-23-10-9-20(30)15-21(23)29;1-8-2-3-9-4-5(6)7;4-3-1-2-3;3-1-2(4)5/h6-13,18-19,22H,3-5,14-17,20-21H2,1-2H3;7-14,19-20,22H,5-6,15-18,21H2,1-4H3;4-11,16-17,20,35H,2-3,12-15,18-19H2,1H3;5-12,17-18,21H,3-4,13-16,19H2,1-2H3;4-11,16-17,19,31H,2-3,12-15,18H2,1H3;5-12,15-16H,13-14,17,30H2,1-4H3;2-4H2,1H3;3H,1-2,4H2;3H,1H2,(H,4,5).
What are the key properties of tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride?
tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride has a molecular weight of 3646.78 g/mol, XLogP of 40.49, 78 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)carbamate;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide;N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-(2-methoxyethyl)acetamide;2-hydroxyacetic acid;2-(2-methoxyethoxy)acetyl chloride is sourced from PubChem (CID 160974431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).