6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one

C193H160ClF7N24O30S6 — CID 159987687

IUPAC6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one
SMILESCOc1cc2c(Oc3ccc(CC(=O)c4cc5nc(N(C)C)sc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2c1.Nc1cc(Oc2ccc(CC(=O)c3cc4ncsc4n(-c4ccccc4CCO)c3=O)cc2F)ccn1.Nc1nccc(Oc2ccc(CC(=O)c3cc4ncsc4n(-c4ccccc4CCO)c3=O)cc2F)c1Cl.O=C(Cc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2ncsc2n(-c2ccccc2CCO)c1=O
InChIInChI=1S/C39H37F2N5O6S.C39H37FN4O7S.C32H24FN3O5S.C29H21FN4O4S.C27H20ClFN4O4S.C27H21FN4O4S/c1-44(2)39-43-31-21-28(37(48)46(38(31)53-39)26-8-6-25(40)7-9-26)32(47)20-24-5-10-34(29(41)19-24)52-33-11-12-42-30-23-36(35(49-3)22-27(30)33)51-16-4-13-45-14-17-50-18-15-45;1-48-36-22-27-30(23-37(36)50-16-4-12-43-13-17-49-18-14-43)41-11-9-34(27)51-35-8-7-25(19-29(35)40)20-33(46)28-21-31-39(52-24-42-31)44(38(28)47)32-6-3-2-5-26(32)10-15-45;1-40-21-7-8-22-25(16-21)34-12-10-29(22)41-30-9-6-19(14-24(30)33)15-28(38)23-17-26-32(42-18-35-26)36(31(23)39)27-5-3-2-4-20(27)11-13-37;30-21-13-17(5-6-26(21)38-25-8-11-32-27-19(25)7-10-31-27)14-24(36)20-15-22-29(39-16-33-22)34(28(20)37)23-4-2-1-3-18(23)9-12-35;28-24-23(7-9-31-25(24)30)37-22-6-5-15(11-18(22)29)12-21(35)17-13-19-27(38-14-32-19)33(26(17)36)20-4-2-1-3-16(20)8-10-34;28-20-11-16(5-6-24(20)36-18-7-9-30-25(29)13-18)12-23(34)19-14-21-27(37-15-31-21)32(26(19)35)22-4-2-1-3-17(22)8-10-33/h5-12,19,21-23H,4,13-18,20H2,1-3H3;2-3,5-9,11,19,21-24,45H,4,10,12-18,20H2,1H3;2-10,12,14,16-18,37H,11,13,15H2,1H3;1-8,10-11,13,15-16,35H,9,12,14H2,(H,31,32);1-7,9,11,13-14,34H,8,10,12H2,(H2,30,31);1-7,9,11,13-15,33H,8,10,12H2,(H2,29,30)
InChIKeyOGNUZACBMBIUSX-UHFFFAOYSA-N
MW3656.38 g/mol
LogP33.06
Rot. Bonds60

About 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one

6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one (PubChem CID 159987687) has the molecular formula C193H160ClF7N24O30S6 and a molecular weight of 3656.38 g/mol. Its IUPAC name is 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one
PubChem CID159987687
Molecular FormulaC193H160ClF7N24O30S6
Molecular Weight3656.38 g/mol
Exact Mass3652.96
IUPAC Name6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one
SMILESCOc1cc2c(Oc3ccc(CC(=O)c4cc5nc(N(C)C)sc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2c1.Nc1cc(Oc2ccc(CC(=O)c3cc4ncsc4n(-c4ccccc4CCO)c3=O)cc2F)ccn1.Nc1nccc(Oc2ccc(CC(=O)c3cc4ncsc4n(-c4ccccc4CCO)c3=O)cc2F)c1Cl.O=C(Cc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2ncsc2n(-c2ccccc2CCO)c1=O
InChIInChI=1S/C39H37F2N5O6S.C39H37FN4O7S.C32H24FN3O5S.C29H21FN4O4S.C27H20ClFN4O4S.C27H21FN4O4S/c1-44(2)39-43-31-21-28(37(48)46(38(31)53-39)26-8-6-25(40)7-9-26)32(47)20-24-5-10-34(29(41)19-24)52-33-11-12-42-30-23-36(35(49-3)22-27(30)33)51-16-4-13-45-14-17-50-18-15-45;1-48-36-22-27-30(23-37(36)50-16-4-12-43-13-17-49-18-14-43)41-11-9-34(27)51-35-8-7-25(19-29(35)40)20-33(46)28-21-31-39(52-24-42-31)44(38(28)47)32-6-3-2-5-26(32)10-15-45;1-40-21-7-8-22-25(16-21)34-12-10-29(22)41-30-9-6-19(14-24(30)33)15-28(38)23-17-26-32(42-18-35-26)36(31(23)39)27-5-3-2-4-20(27)11-13-37;30-21-13-17(5-6-26(21)38-25-8-11-32-27-19(25)7-10-31-27)14-24(36)20-15-22-29(39-16-33-22)34(28(20)37)23-4-2-1-3-18(23)9-12-35;28-24-23(7-9-31-25(24)30)37-22-6-5-15(11-18(22)29)12-21(35)17-13-19-27(38-14-32-19)33(26(17)36)20-4-2-1-3-16(20)8-10-34;28-20-11-16(5-6-24(20)36-18-7-9-30-25(29)13-18)12-23(34)19-14-21-27(37-15-31-21)32(26(19)35)22-4-2-1-3-17(22)8-10-33/h5-12,19,21-23H,4,13-18,20H2,1-3H3;2-3,5-9,11,19,21-24,45H,4,10,12-18,20H2,1H3;2-10,12,14,16-18,37H,11,13,15H2,1H3;1-8,10-11,13,15-16,35H,9,12,14H2,(H,31,32);1-7,9,11,13-14,34H,8,10,12H2,(H2,30,31);1-7,9,11,13-15,33H,8,10,12H2,(H2,29,30)
InChIKeyOGNUZACBMBIUSX-UHFFFAOYSA-N
XLogP33.06
TPSA687.79 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds60
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003656.38
LogP ≤ 533.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
The IUPAC name of 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one (CID 159987687) is 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one.
What is the SMILES notation for 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
The canonical SMILES for 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one is COc1cc2c(Oc3ccc(CC(=O)c4cc5nc(N(C)C)sc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2c1.Nc1cc(Oc2ccc(CC(=O)c3cc4ncsc4n(-c4ccccc4CCO)c3=O)cc2F)ccn1.Nc1nccc(Oc2ccc(CC(=O)c3cc4ncsc4n(-c4ccccc4CCO)c3=O)cc2F)c1Cl.O=C(Cc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2ncsc2n(-c2ccccc2CCO)c1=O.
What is the InChIKey of 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
The InChIKey is OGNUZACBMBIUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37F2N5O6S.C39H37FN4O7S.C32H24FN3O5S.C29H21FN4O4S.C27H20ClFN4O4S.C27H21FN4O4S/c1-44(2)39-43-31-21-28(37(48)46(38(31)53-39)26-8-6-25(40)7-9-26)32(47)20-24-5-10-34(29(41)19-24)52-33-11-12-42-30-23-36(35(49-3)22-27(30)33)51-16-4-13-45-14-17-50-18-15-45;1-48-36-22-27-30(23-37(36)50-16-4-12-43-13-17-49-18-14-43)41-11-9-34(27)51-35-8-7-25(19-29(35)40)20-33(46)28-21-31-39(52-24-42-31)44(38(28)47)32-6-3-2-5-26(32)10-15-45;1-40-21-7-8-22-25(16-21)34-12-10-29(22)41-30-9-6-19(14-24(30)33)15-28(38)23-17-26-32(42-18-35-26)36(31(23)39)27-5-3-2-4-20(27)11-13-37;30-21-13-17(5-6-26(21)38-25-8-11-32-27-19(25)7-10-31-27)14-24(36)20-15-22-29(39-16-33-22)34(28(20)37)23-4-2-1-3-18(23)9-12-35;28-24-23(7-9-31-25(24)30)37-22-6-5-15(11-18(22)29)12-21(35)17-13-19-27(38-14-32-19)33(26(17)36)20-4-2-1-3-16(20)8-10-34;28-20-11-16(5-6-24(20)36-18-7-9-30-25(29)13-18)12-23(34)19-14-21-27(37-15-31-21)32(26(19)35)22-4-2-1-3-17(22)8-10-33/h5-12,19,21-23H,4,13-18,20H2,1-3H3;2-3,5-9,11,19,21-24,45H,4,10,12-18,20H2,1H3;2-10,12,14,16-18,37H,11,13,15H2,1H3;1-8,10-11,13,15-16,35H,9,12,14H2,(H,31,32);1-7,9,11,13-14,34H,8,10,12H2,(H2,30,31);1-7,9,11,13-15,33H,8,10,12H2,(H2,29,30).
What are the key properties of 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one has a molecular weight of 3656.38 g/mol, XLogP of 33.06, 60 rotatable bonds, 8 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;2-(dimethylamino)-6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one;6-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one is sourced from PubChem (CID 159987687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).