4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride

C170H218BrCl5F4I4N32O19S5 — CID 159690877

IUPAC4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride
SMILESCCCN(CCn1cnc(-c2cc3nccc(Cl)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCNCCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CCCNCCn1cnc(I)c1.COCCN.Cl.ClCCBr.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.Nc1ccc(O)c(F)c1.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C32H37FN4O4S.C27H29FN4O2S.C26H30FN5O3S.C20H25ClN4O2S.2C13H22IN3O2.C8H14IN3.C7H4ClNS.C7H5ClO2.C6H6FNO.C3H3IN2.C3H9NO.C3H7N.C2H4BrCl.ClH/c1-5-12-37(31(39)41-32(2,3)4)14-13-36-19-26(35-20-36)29-18-25-30(42-29)28(10-11-34-25)40-27-9-8-22(17-24(27)33)16-23(38)15-21-6-7-21;1-2-8-29-10-11-32-16-23(31-17-32)26-15-22-27(35-26)25(7-9-30-22)34-24-6-5-19(14-21(24)28)13-20(33)12-18-3-4-18;1-5-10-32(25(33)35-26(2,3)4)12-11-31-15-20(30-16-31)23-14-19-24(36-23)22(8-9-29-19)34-21-7-6-17(28)13-18(21)27;1-5-8-25(19(26)27-20(2,3)4)10-9-24-12-16(23-13-24)17-11-15-18(28-17)14(21)6-7-22-15;2*1-5-6-17(12(18)19-13(2,3)4)8-7-16-9-11(14)15-10-16;1-2-3-10-4-5-12-6-8(9)11-7-12;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;7-5-3-4(8)1-2-6(5)9;4-3-1-5-2-6-3;1-5-3-2-4;4-3-1-2-3;3-1-2-4;/h8-11,17-21H,5-7,12-16H2,1-4H3;5-7,9,14-18,29H,2-4,8,10-13H2,1H3;6-9,13-16H,5,10-12,28H2,1-4H3;6-7,11-13H,5,8-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;6-7,10H,2-5H2,1H3;1-4H;1-5H;1-3,9H,8H2;1-2H,(H,5,6);2-4H2,1H3;3H,1-2,4H2;1-2H2;1H
InChIKeyGDYPAYGLHPSYFN-UHFFFAOYSA-N
MW4014.93 g/mol
LogP42.43
Rot. Bonds57

About 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride

4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride (PubChem CID 159690877) has the molecular formula C170H218BrCl5F4I4N32O19S5 and a molecular weight of 4014.93 g/mol. Its IUPAC name is 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride.

Molecular Properties

Compound Name4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride
PubChem CID159690877
Molecular FormulaC170H218BrCl5F4I4N32O19S5
Molecular Weight4014.93 g/mol
Exact Mass4008.94
IUPAC Name4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride
SMILESCCCN(CCn1cnc(-c2cc3nccc(Cl)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCNCCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CCCNCCn1cnc(I)c1.COCCN.Cl.ClCCBr.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.Nc1ccc(O)c(F)c1.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C32H37FN4O4S.C27H29FN4O2S.C26H30FN5O3S.C20H25ClN4O2S.2C13H22IN3O2.C8H14IN3.C7H4ClNS.C7H5ClO2.C6H6FNO.C3H3IN2.C3H9NO.C3H7N.C2H4BrCl.ClH/c1-5-12-37(31(39)41-32(2,3)4)14-13-36-19-26(35-20-36)29-18-25-30(42-29)28(10-11-34-25)40-27-9-8-22(17-24(27)33)16-23(38)15-21-6-7-21;1-2-8-29-10-11-32-16-23(31-17-32)26-15-22-27(35-26)25(7-9-30-22)34-24-6-5-19(14-21(24)28)13-20(33)12-18-3-4-18;1-5-10-32(25(33)35-26(2,3)4)12-11-31-15-20(30-16-31)23-14-19-24(36-23)22(8-9-29-19)34-21-7-6-17(28)13-18(21)27;1-5-8-25(19(26)27-20(2,3)4)10-9-24-12-16(23-13-24)17-11-15-18(28-17)14(21)6-7-22-15;2*1-5-6-17(12(18)19-13(2,3)4)8-7-16-9-11(14)15-10-16;1-2-3-10-4-5-12-6-8(9)11-7-12;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;7-5-3-4(8)1-2-6(5)9;4-3-1-5-2-6-3;1-5-3-2-4;4-3-1-2-3;3-1-2-4;/h8-11,17-21H,5-7,12-16H2,1-4H3;5-7,9,14-18,29H,2-4,8,10-13H2,1H3;6-9,13-16H,5,10-12,28H2,1-4H3;6-7,11-13H,5,8-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;6-7,10H,2-5H2,1H3;1-4H;1-5H;1-3,9H,8H2;1-2H,(H,5,6);2-4H2,1H3;3H,1-2,4H2;1-2H2;1H
InChIKeyGDYPAYGLHPSYFN-UHFFFAOYSA-N
XLogP42.43
TPSA611.30 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds57
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004014.93
LogP ≤ 542.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride?
The IUPAC name of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride (CID 159690877) is 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride.
What is the SMILES notation for 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride?
The canonical SMILES for 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride is CCCN(CCn1cnc(-c2cc3nccc(Cl)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCNCCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CCCNCCn1cnc(I)c1.COCCN.Cl.ClCCBr.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.Nc1ccc(O)c(F)c1.O=C(Cl)Oc1ccccc1.
What is the InChIKey of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride?
The InChIKey is GDYPAYGLHPSYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O4S.C27H29FN4O2S.C26H30FN5O3S.C20H25ClN4O2S.2C13H22IN3O2.C8H14IN3.C7H4ClNS.C7H5ClO2.C6H6FNO.C3H3IN2.C3H9NO.C3H7N.C2H4BrCl.ClH/c1-5-12-37(31(39)41-32(2,3)4)14-13-36-19-26(35-20-36)29-18-25-30(42-29)28(10-11-34-25)40-27-9-8-22(17-24(27)33)16-23(38)15-21-6-7-21;1-2-8-29-10-11-32-16-23(31-17-32)26-15-22-27(35-26)25(7-9-30-22)34-24-6-5-19(14-21(24)28)13-20(33)12-18-3-4-18;1-5-10-32(25(33)35-26(2,3)4)12-11-31-15-20(30-16-31)23-14-19-24(36-23)22(8-9-29-19)34-21-7-6-17(28)13-18(21)27;1-5-8-25(19(26)27-20(2,3)4)10-9-24-12-16(23-13-24)17-11-15-18(28-17)14(21)6-7-22-15;2*1-5-6-17(12(18)19-13(2,3)4)8-7-16-9-11(14)15-10-16;1-2-3-10-4-5-12-6-8(9)11-7-12;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;7-5-3-4(8)1-2-6(5)9;4-3-1-5-2-6-3;1-5-3-2-4;4-3-1-2-3;3-1-2-4;/h8-11,17-21H,5-7,12-16H2,1-4H3;5-7,9,14-18,29H,2-4,8,10-13H2,1H3;6-9,13-16H,5,10-12,28H2,1-4H3;6-7,11-13H,5,8-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;6-7,10H,2-5H2,1H3;1-4H;1-5H;1-3,9H,8H2;1-2H,(H,5,6);2-4H2,1H3;3H,1-2,4H2;1-2H2;1H.
What are the key properties of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride?
4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride has a molecular weight of 4014.93 g/mol, XLogP of 42.43, 57 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl carbonochloridate;hydrochloride is sourced from PubChem (CID 159690877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).