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

C179H145ClF12N26O27S2 — CID 161018319

IUPAC7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one
SMILESCCOc1c(C(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c2scnc12.CN(C)c1c(C(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c2scnc12.CN1CCOc2c1cc(C(=O)Cc1ccc(Oc3ccnc(N)c3Cl)c(F)c1)c(=O)n2-c1ccc(F)cc1.CN1CCOc2c1cc(C(=O)Cc1ccc(Oc3ccnc4[nH]ccc34)c(F)c1)c(=O)n2-c1ccc(F)cc1.COc1cc2c(Oc3ccc(CC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)OCCN5C)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(Oc3ccc(CC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)OCCN5C)cc3F)ccnc2c1
InChIInChI=1S/C39H38F2N4O7.C32H25F2N3O5.C29H22F2N4O4.C27H21ClF2N4O4.C26H20F2N6O3S.C26H19F2N5O4S/c1-43-13-19-51-39-32(43)22-29(38(47)45(39)27-7-5-26(40)6-8-27)33(46)21-25-4-9-35(30(41)20-25)52-34-10-11-42-31-24-37(36(48-2)23-28(31)34)50-16-3-12-44-14-17-49-18-15-44;1-36-13-14-41-32-27(36)18-24(31(39)37(32)21-6-4-20(33)5-7-21)28(38)16-19-3-10-30(25(34)15-19)42-29-11-12-35-26-17-22(40-2)8-9-23(26)29;1-34-12-13-38-29-23(34)16-21(28(37)35(29)19-5-3-18(30)4-6-19)24(36)15-17-2-7-26(22(31)14-17)39-25-9-11-33-27-20(25)8-10-32-27;1-33-10-11-37-27-20(33)14-18(26(36)34(27)17-5-3-16(29)4-6-17)21(35)13-15-2-7-22(19(30)12-15)38-23-8-9-32-25(31)24(23)28;1-33(2)23-21(25(36)34(26-22(23)31-13-38-26)16-6-3-14(27)4-7-16)24(35)32-15-5-8-19(18(28)11-15)37-17-9-10-30-20(29)12-17;1-2-36-23-21(25(35)33(26-22(23)31-13-38-26)16-6-3-14(27)4-7-16)24(34)32-15-5-8-19(18(28)11-15)37-17-9-10-30-20(29)12-17/h4-11,20,22-24H,3,12-19,21H2,1-2H3;3-12,15,17-18H,13-14,16H2,1-2H3;2-11,14,16H,12-13,15H2,1H3,(H,32,33);2-9,12,14H,10-11,13H2,1H3,(H2,31,32);3-13H,1-2H3,(H2,29,30)(H,32,35);3-13H,2H2,1H3,(H2,29,30)(H,32,34)
InChIKeyTYAFVAQBAKBOHD-UHFFFAOYSA-N
MW3419.85 g/mol
LogP31.33
Rot. Bonds44

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

7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one (PubChem CID 161018319) has the molecular formula C179H145ClF12N26O27S2 and a molecular weight of 3419.85 g/mol. Its IUPAC name is 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one.

Molecular Properties

Compound Name7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one
PubChem CID161018319
Molecular FormulaC179H145ClF12N26O27S2
Molecular Weight3419.85 g/mol
Exact Mass3416.97
IUPAC Name7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one
SMILESCCOc1c(C(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c2scnc12.CN(C)c1c(C(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c2scnc12.CN1CCOc2c1cc(C(=O)Cc1ccc(Oc3ccnc(N)c3Cl)c(F)c1)c(=O)n2-c1ccc(F)cc1.CN1CCOc2c1cc(C(=O)Cc1ccc(Oc3ccnc4[nH]ccc34)c(F)c1)c(=O)n2-c1ccc(F)cc1.COc1cc2c(Oc3ccc(CC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)OCCN5C)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(Oc3ccc(CC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)OCCN5C)cc3F)ccnc2c1
InChIInChI=1S/C39H38F2N4O7.C32H25F2N3O5.C29H22F2N4O4.C27H21ClF2N4O4.C26H20F2N6O3S.C26H19F2N5O4S/c1-43-13-19-51-39-32(43)22-29(38(47)45(39)27-7-5-26(40)6-8-27)33(46)21-25-4-9-35(30(41)20-25)52-34-10-11-42-31-24-37(36(48-2)23-28(31)34)50-16-3-12-44-14-17-49-18-15-44;1-36-13-14-41-32-27(36)18-24(31(39)37(32)21-6-4-20(33)5-7-21)28(38)16-19-3-10-30(25(34)15-19)42-29-11-12-35-26-17-22(40-2)8-9-23(26)29;1-34-12-13-38-29-23(34)16-21(28(37)35(29)19-5-3-18(30)4-6-19)24(36)15-17-2-7-26(22(31)14-17)39-25-9-11-33-27-20(25)8-10-32-27;1-33-10-11-37-27-20(33)14-18(26(36)34(27)17-5-3-16(29)4-6-17)21(35)13-15-2-7-22(19(30)12-15)38-23-8-9-32-25(31)24(23)28;1-33(2)23-21(25(36)34(26-22(23)31-13-38-26)16-6-3-14(27)4-7-16)24(35)32-15-5-8-19(18(28)11-15)37-17-9-10-30-20(29)12-17;1-2-36-23-21(25(35)33(26-22(23)31-13-38-26)16-6-3-14(27)4-7-16)24(34)32-15-5-8-19(18(28)11-15)37-17-9-10-30-20(29)12-17/h4-11,20,22-24H,3,12-19,21H2,1-2H3;3-12,15,17-18H,13-14,16H2,1-2H3;2-11,14,16H,12-13,15H2,1H3,(H,32,33);2-9,12,14H,10-11,13H2,1H3,(H2,31,32);3-13H,1-2H3,(H2,29,30)(H,32,35);3-13H,2H2,1H3,(H2,29,30)(H,32,34)
InChIKeyTYAFVAQBAKBOHD-UHFFFAOYSA-N
XLogP31.33
TPSA613.34 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds44
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003419.85
LogP ≤ 531.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one 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 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one?
The IUPAC name of 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one (CID 161018319) is 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one.
What is the SMILES notation for 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one?
The canonical SMILES for 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one is CCOc1c(C(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c2scnc12.CN(C)c1c(C(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c2scnc12.CN1CCOc2c1cc(C(=O)Cc1ccc(Oc3ccnc(N)c3Cl)c(F)c1)c(=O)n2-c1ccc(F)cc1.CN1CCOc2c1cc(C(=O)Cc1ccc(Oc3ccnc4[nH]ccc34)c(F)c1)c(=O)n2-c1ccc(F)cc1.COc1cc2c(Oc3ccc(CC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)OCCN5C)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(Oc3ccc(CC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)OCCN5C)cc3F)ccnc2c1.
What is the InChIKey of 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one?
The InChIKey is TYAFVAQBAKBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38F2N4O7.C32H25F2N3O5.C29H22F2N4O4.C27H21ClF2N4O4.C26H20F2N6O3S.C26H19F2N5O4S/c1-43-13-19-51-39-32(43)22-29(38(47)45(39)27-7-5-26(40)6-8-27)33(46)21-25-4-9-35(30(41)20-25)52-34-10-11-42-31-24-37(36(48-2)23-28(31)34)50-16-3-12-44-14-17-49-18-15-44;1-36-13-14-41-32-27(36)18-24(31(39)37(32)21-6-4-20(33)5-7-21)28(38)16-19-3-10-30(25(34)15-19)42-29-11-12-35-26-17-22(40-2)8-9-23(26)29;1-34-12-13-38-29-23(34)16-21(28(37)35(29)19-5-3-18(30)4-6-19)24(36)15-17-2-7-26(22(31)14-17)39-25-9-11-33-27-20(25)8-10-32-27;1-33-10-11-37-27-20(33)14-18(26(36)34(27)17-5-3-16(29)4-6-17)21(35)13-15-2-7-22(19(30)12-15)38-23-8-9-32-25(31)24(23)28;1-33(2)23-21(25(36)34(26-22(23)31-13-38-26)16-6-3-14(27)4-7-16)24(35)32-15-5-8-19(18(28)11-15)37-17-9-10-30-20(29)12-17;1-2-36-23-21(25(35)33(26-22(23)31-13-38-26)16-6-3-14(27)4-7-16)24(34)32-15-5-8-19(18(28)11-15)37-17-9-10-30-20(29)12-17/h4-11,20,22-24H,3,12-19,21H2,1-2H3;3-12,15,17-18H,13-14,16H2,1-2H3;2-11,14,16H,12-13,15H2,1H3,(H,32,33);2-9,12,14H,10-11,13H2,1H3,(H2,31,32);3-13H,1-2H3,(H2,29,30)(H,32,35);3-13H,2H2,1H3,(H2,29,30)(H,32,34).
What are the key properties of 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one?
7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one has a molecular weight of 3419.85 g/mol, XLogP of 31.33, 44 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide;7-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;7-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one;5-(4-fluorophenyl)-7-[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]acetyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-one is sourced from PubChem (CID 161018319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).