4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane

C183H198F22N32O18S6 — CID 159636081

IUPAC4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane
SMILESC.CCC(F)(F)CS(=O)(=O)Cc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(C)ccc12.CCC(F)(F)CS(=O)(=O)Cc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CNC[C@H](F)C4)n3)c(C)ccc12.Cc1ccc2c(CS(=O)(=O)CCC(C)(C)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)CCC(C)(C)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CNC[C@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CNC[C@H](F)C2)n1
InChIInChI=1S/2C31H34F3N5O3S.2C30H32F4N6O3S.2C30H31F4N5O3S.CH4/c2*1-19-6-7-22-23(8-9-26(33)25(22)18-43(40,41)14-11-31(2,3)34)28(19)42-29-24(5-4-12-36-29)27-10-13-37-30(39-27)38-21-15-20(32)16-35-17-21;2*1-18-6-7-21-22(8-9-25(32)24(21)16-44(41,42)40(3)17-30(2,33)34)27(18)43-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20;2*1-3-30(33,34)17-43(40,41)16-24-21-7-6-18(2)27(22(21)8-9-25(24)32)42-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20;/h2*4-10,12-13,20-21,35H,11,14-18H2,1-3H3,(H,37,38,39);2*4-12,19-20,35H,13-17H2,1-3H3,(H,37,38,39);2*4-12,19-20,35H,3,13-17H2,1-2H3,(H,37,38,39);1H4/t2*20-,21-;4*19-,20-;/m101010./s1
InChIKeyMPTKLHIETRFYCL-IUFKXSHFSA-N
MW3744.16 g/mol
LogP35.76
Rot. Bonds60

About 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane

4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane (PubChem CID 159636081) has the molecular formula C183H198F22N32O18S6 and a molecular weight of 3744.16 g/mol. Its IUPAC name is 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane.

Molecular Properties

Compound Name4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane
PubChem CID159636081
Molecular FormulaC183H198F22N32O18S6
Molecular Weight3744.16 g/mol
Exact Mass3741.35
IUPAC Name4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane
SMILESC.CCC(F)(F)CS(=O)(=O)Cc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(C)ccc12.CCC(F)(F)CS(=O)(=O)Cc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CNC[C@H](F)C4)n3)c(C)ccc12.Cc1ccc2c(CS(=O)(=O)CCC(C)(C)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)CCC(C)(C)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CNC[C@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CNC[C@H](F)C2)n1
InChIInChI=1S/2C31H34F3N5O3S.2C30H32F4N6O3S.2C30H31F4N5O3S.CH4/c2*1-19-6-7-22-23(8-9-26(33)25(22)18-43(40,41)14-11-31(2,3)34)28(19)42-29-24(5-4-12-36-29)27-10-13-37-30(39-27)38-21-15-20(32)16-35-17-21;2*1-18-6-7-21-22(8-9-25(32)24(21)16-44(41,42)40(3)17-30(2,33)34)27(18)43-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20;2*1-3-30(33,34)17-43(40,41)16-24-21-7-6-18(2)27(22(21)8-9-25(24)32)42-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20;/h2*4-10,12-13,20-21,35H,11,14-18H2,1-3H3,(H,37,38,39);2*4-12,19-20,35H,13-17H2,1-3H3,(H,37,38,39);2*4-12,19-20,35H,3,13-17H2,1-2H3,(H,37,38,39);1H4/t2*20-,21-;4*19-,20-;/m101010./s1
InChIKeyMPTKLHIETRFYCL-IUFKXSHFSA-N
XLogP35.76
TPSA643.08 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds60
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003744.16
LogP ≤ 535.76
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane?
The IUPAC name of 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane (CID 159636081) is 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane.
What is the SMILES notation for 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane?
The canonical SMILES for 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane is C.CCC(F)(F)CS(=O)(=O)Cc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(C)ccc12.CCC(F)(F)CS(=O)(=O)Cc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CNC[C@H](F)C4)n3)c(C)ccc12.Cc1ccc2c(CS(=O)(=O)CCC(C)(C)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)CCC(C)(C)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CNC[C@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1ccc2c(CS(=O)(=O)N(C)CC(C)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CNC[C@H](F)C2)n1.
What is the InChIKey of 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane?
The InChIKey is MPTKLHIETRFYCL-IUFKXSHFSA-N. The full InChI is InChI=1S/2C31H34F3N5O3S.2C30H32F4N6O3S.2C30H31F4N5O3S.CH4/c2*1-19-6-7-22-23(8-9-26(33)25(22)18-43(40,41)14-11-31(2,3)34)28(19)42-29-24(5-4-12-36-29)27-10-13-37-30(39-27)38-21-15-20(32)16-35-17-21;2*1-18-6-7-21-22(8-9-25(32)24(21)16-44(41,42)40(3)17-30(2,33)34)27(18)43-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20;2*1-3-30(33,34)17-43(40,41)16-24-21-7-6-18(2)27(22(21)8-9-25(24)32)42-28-23(5-4-11-36-28)26-10-12-37-29(39-26)38-20-13-19(31)14-35-15-20;/h2*4-10,12-13,20-21,35H,11,14-18H2,1-3H3,(H,37,38,39);2*4-12,19-20,35H,13-17H2,1-3H3,(H,37,38,39);2*4-12,19-20,35H,3,13-17H2,1-2H3,(H,37,38,39);1H4/t2*20-,21-;4*19-,20-;/m101010./s1.
What are the key properties of 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane?
4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane has a molecular weight of 3744.16 g/mol, XLogP of 35.76, 60 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-difluorobutylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;N-(2,2-difluoropropyl)-1-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-N-methylmethanesulfonamide;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3R,5R)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-5-[(3-fluoro-3-methylbutyl)sulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine;methane is sourced from PubChem (CID 159636081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).