3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C178H194F10N38O19S5 — CID 159165270

IUPAC3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCOCCCNc1cccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12.COCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@H](C)C4)n3)c(C)ccc12.COc1cccc(CS(=O)(=O)Nc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCNC5)n4)c(C)ccc23)c1.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(NS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(NS(=O)(=O)N3CCCC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIInChI=1S/C33H33FN6O4S.C29H30F4N6O3S.C29H32F3N7O3S.C29H32FN7O3S.C29H33FN6O4S.C29H34N6O2/c1-21-10-11-25-26(12-13-28(34)30(25)40-45(41,42)20-22-6-3-8-24(18-22)43-2)31(21)44-32-27(9-5-16-36-32)29-14-17-37-33(39-29)38-23-7-4-15-35-19-23;1-17-5-6-20-21(7-8-23(31)25(20)39-43(40,41)13-10-29(2,32)33)26(17)42-27-22(4-3-11-35-27)24-9-12-36-28(38-24)37-19-14-18(30)15-34-16-19;1-18-8-9-20-21(10-11-23(30)25(20)38-43(40,41)39(3)17-29(2,31)32)26(18)42-27-22(7-5-14-34-27)24-12-15-35-28(37-24)36-19-6-4-13-33-16-19;1-19-8-9-21-22(10-11-24(30)26(21)36-41(38,39)37-16-2-3-17-37)27(19)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-18-20;1-18-15-20(17-31-16-18)34-29-33-12-10-25(35-29)23-5-4-11-32-28(23)40-27-19(2)6-7-21-22(27)8-9-24(30)26(21)36-41(37,38)14-13-39-3;1-20-11-12-22-23(8-3-10-25(22)31-16-6-18-36-2)27(20)37-28-24(9-5-15-32-28)26-13-17-33-29(35-26)34-21-7-4-14-30-19-21/h3,5-6,8-14,16-18,23,35,40H,4,7,15,19-20H2,1-2H3,(H,37,38,39);3-9,11-12,18-19,34,39H,10,13-16H2,1-2H3,(H,36,37,38);5,7-12,14-15,19,33,38H,4,6,13,16-17H2,1-3H3,(H,35,36,37);5,7-12,14-15,20,31,36H,2-4,6,13,16-18H2,1H3,(H,33,34,35);4-12,18,20,31,36H,13-17H2,1-3H3,(H,33,34,35);3,5,8-13,15,17,21,30-31H,4,6-7,14,16,18-19H2,1-2H3,(H,33,34,35)/t23-;18-,19-;19-;20-;18-,20+;21-/m000010/s1
InChIKeyKKZHUNZKDOIUSI-AAWPFBOBSA-N
MW3520.07 g/mol
LogP32.20
Rot. Bonds58

About 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 159165270) has the molecular formula C178H194F10N38O19S5 and a molecular weight of 3520.07 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID159165270
Molecular FormulaC178H194F10N38O19S5
Molecular Weight3520.07 g/mol
Exact Mass3517.38
IUPAC Name3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCOCCCNc1cccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12.COCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@H](C)C4)n3)c(C)ccc12.COc1cccc(CS(=O)(=O)Nc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCNC5)n4)c(C)ccc23)c1.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(NS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(NS(=O)(=O)N3CCCC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIInChI=1S/C33H33FN6O4S.C29H30F4N6O3S.C29H32F3N7O3S.C29H32FN7O3S.C29H33FN6O4S.C29H34N6O2/c1-21-10-11-25-26(12-13-28(34)30(25)40-45(41,42)20-22-6-3-8-24(18-22)43-2)31(21)44-32-27(9-5-16-36-32)29-14-17-37-33(39-29)38-23-7-4-15-35-19-23;1-17-5-6-20-21(7-8-23(31)25(20)39-43(40,41)13-10-29(2,32)33)26(17)42-27-22(4-3-11-35-27)24-9-12-36-28(38-24)37-19-14-18(30)15-34-16-19;1-18-8-9-20-21(10-11-23(30)25(20)38-43(40,41)39(3)17-29(2,31)32)26(18)42-27-22(7-5-14-34-27)24-12-15-35-28(37-24)36-19-6-4-13-33-16-19;1-19-8-9-21-22(10-11-24(30)26(21)36-41(38,39)37-16-2-3-17-37)27(19)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-18-20;1-18-15-20(17-31-16-18)34-29-33-12-10-25(35-29)23-5-4-11-32-28(23)40-27-19(2)6-7-21-22(27)8-9-24(30)26(21)36-41(37,38)14-13-39-3;1-20-11-12-22-23(8-3-10-25(22)31-16-6-18-36-2)27(20)37-28-24(9-5-15-32-28)26-13-17-33-29(35-26)34-21-7-4-14-30-19-21/h3,5-6,8-14,16-18,23,35,40H,4,7,15,19-20H2,1-2H3,(H,37,38,39);3-9,11-12,18-19,34,39H,10,13-16H2,1-2H3,(H,36,37,38);5,7-12,14-15,19,33,38H,4,6,13,16-17H2,1-3H3,(H,35,36,37);5,7-12,14-15,20,31,36H,2-4,6,13,16-18H2,1H3,(H,33,34,35);4-12,18,20,31,36H,13-17H2,1-3H3,(H,33,34,35);3,5,8-13,15,17,21,30-31H,4,6-7,14,16,18-19H2,1-2H3,(H,33,34,35)/t23-;18-,19-;19-;20-;18-,20+;21-/m000010/s1
InChIKeyKKZHUNZKDOIUSI-AAWPFBOBSA-N
XLogP32.20
TPSA708.81 Ų
H-Bond Donors18
H-Bond Acceptors50
Rotatable Bonds58
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003520.07
LogP ≤ 532.20
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[4-[[3-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-2-methoxybenzenesulfonamide
CID 118721241
2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide
CID 155925860
2-cyclopropyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide
CID 135326861
3,3,3-trifluoro-N-[6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]propane-1-sulfonamide
CID 135327057
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide
CID 135327150
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
CID 135327224
N-[3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327877
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327903
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentanesulfonamide
CID 135327959
N-[2,6-dimethyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]-3,3,3-trifluoropropane-1-sulfonamide
CID 135328370
3,3,3-trifluoro-N-[2-fluoro-6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]propane-1-sulfonamide
CID 135328834
1-cyclohexyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]methanesulfonamide
CID 177375729

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 159165270) is 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is COCCCNc1cccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12.COCCS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@H](C)C4)n3)c(C)ccc12.COc1cccc(CS(=O)(=O)Nc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCNC5)n4)c(C)ccc23)c1.Cc1ccc2c(NS(=O)(=O)CCC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(NS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(NS(=O)(=O)N3CCCC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.
What is the InChIKey of 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is KKZHUNZKDOIUSI-AAWPFBOBSA-N. The full InChI is InChI=1S/C33H33FN6O4S.C29H30F4N6O3S.C29H32F3N7O3S.C29H32FN7O3S.C29H33FN6O4S.C29H34N6O2/c1-21-10-11-25-26(12-13-28(34)30(25)40-45(41,42)20-22-6-3-8-24(18-22)43-2)31(21)44-32-27(9-5-16-36-32)29-14-17-37-33(39-29)38-23-7-4-15-35-19-23;1-17-5-6-20-21(7-8-23(31)25(20)39-43(40,41)13-10-29(2,32)33)26(17)42-27-22(4-3-11-35-27)24-9-12-36-28(38-24)37-19-14-18(30)15-34-16-19;1-18-8-9-20-21(10-11-23(30)25(20)38-43(40,41)39(3)17-29(2,31)32)26(18)42-27-22(7-5-14-34-27)24-12-15-35-28(37-24)36-19-6-4-13-33-16-19;1-19-8-9-21-22(10-11-24(30)26(21)36-41(38,39)37-16-2-3-17-37)27(19)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-18-20;1-18-15-20(17-31-16-18)34-29-33-12-10-25(35-29)23-5-4-11-32-28(23)40-27-19(2)6-7-21-22(27)8-9-24(30)26(21)36-41(37,38)14-13-39-3;1-20-11-12-22-23(8-3-10-25(22)31-16-6-18-36-2)27(20)37-28-24(9-5-15-32-28)26-13-17-33-29(35-26)34-21-7-4-14-30-19-21/h3,5-6,8-14,16-18,23,35,40H,4,7,15,19-20H2,1-2H3,(H,37,38,39);3-9,11-12,18-19,34,39H,10,13-16H2,1-2H3,(H,36,37,38);5,7-12,14-15,19,33,38H,4,6,13,16-17H2,1-3H3,(H,35,36,37);5,7-12,14-15,20,31,36H,2-4,6,13,16-18H2,1H3,(H,33,34,35);4-12,18,20,31,36H,13-17H2,1-3H3,(H,33,34,35);3,5,8-13,15,17,21,30-31H,4,6-7,14,16,18-19H2,1-2H3,(H,33,34,35)/t23-;18-,19-;19-;20-;18-,20+;21-/m000010/s1.
What are the key properties of 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 3520.07 g/mol, XLogP of 32.20, 58 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 159165270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).