2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide

C185H209F9N36O18S6 — CID 157174034

IUPAC2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
SMILESCCC(F)(F)CS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.CCCCS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.CCCS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.Cc1c(F)c(NS(=O)(=O)CCC(C)(C)C)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1.Cc1c(F)c(NS(=O)(=O)CCC(C)(C)F)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1.Cc1c(F)c(NS(=O)(=O)Cc2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1
InChIInChI=1S/C33H33FN6O3S.C32H39FN6O3S.C31H36F2N6O3S.C30H33F3N6O3S.C30H35FN6O3S.C29H33FN6O3S/c1-21-17-24(19-35-18-21)38-33-37-16-14-28(39-33)27-13-8-15-36-32(27)43-31-22(2)29(34)30(25-11-6-7-12-26(25)31)40-44(41,42)20-23-9-4-3-5-10-23;1-20-17-22(19-34-18-20)37-31-36-15-12-26(38-31)25-11-8-14-35-30(25)42-29-21(2)27(33)28(23-9-6-7-10-24(23)29)39-43(40,41)16-13-32(3,4)5;1-19-16-21(18-34-17-19)37-30-36-14-11-25(38-30)24-10-7-13-35-29(24)42-28-20(2)26(32)27(22-8-5-6-9-23(22)28)39-43(40,41)15-12-31(3,4)33;1-4-30(32,33)17-43(40,41)39-26-21-8-5-6-9-22(21)27(19(3)25(26)31)42-28-23(10-7-12-35-28)24-11-13-36-29(38-24)37-20-14-18(2)15-34-16-20;1-4-5-15-41(38,39)37-27-22-9-6-7-10-23(22)28(20(3)26(27)31)40-29-24(11-8-13-33-29)25-12-14-34-30(36-25)35-21-16-19(2)17-32-18-21;1-4-14-40(37,38)36-26-21-8-5-6-9-22(21)27(19(3)25(26)30)39-28-23(10-7-12-32-28)24-11-13-33-29(35-24)34-20-15-18(2)16-31-17-20/h3-16,21,24,35,40H,17-20H2,1-2H3,(H,37,38,39);6-12,14-15,20,22,34,39H,13,16-19H2,1-5H3,(H,36,37,38);5-11,13-14,19,21,34,39H,12,15-18H2,1-4H3,(H,36,37,38);5-13,18,20,34,39H,4,14-17H2,1-3H3,(H,36,37,38);6-14,19,21,32,37H,4-5,15-18H2,1-3H3,(H,34,35,36);5-13,18,20,31,36H,4,14-17H2,1-3H3,(H,33,34,35)/t21-,24+;20-,22+;19-,21+;18-,20+;19-,21+;18-,20+/m111111/s1
InChIKeyANUMBHVQYFEPCQ-GTZJHKLESA-N
MW3588.32 g/mol
LogP36.53
Rot. Bonds57

About 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide

2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide (PubChem CID 157174034) has the molecular formula C185H209F9N36O18S6 and a molecular weight of 3588.32 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
PubChem CID157174034
Molecular FormulaC185H209F9N36O18S6
Molecular Weight3588.32 g/mol
Exact Mass3585.47
IUPAC Name2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
SMILESCCC(F)(F)CS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.CCCCS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.CCCS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.Cc1c(F)c(NS(=O)(=O)CCC(C)(C)C)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1.Cc1c(F)c(NS(=O)(=O)CCC(C)(C)F)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1.Cc1c(F)c(NS(=O)(=O)Cc2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1
InChIInChI=1S/C33H33FN6O3S.C32H39FN6O3S.C31H36F2N6O3S.C30H33F3N6O3S.C30H35FN6O3S.C29H33FN6O3S/c1-21-17-24(19-35-18-21)38-33-37-16-14-28(39-33)27-13-8-15-36-32(27)43-31-22(2)29(34)30(25-11-6-7-12-26(25)31)40-44(41,42)20-23-9-4-3-5-10-23;1-20-17-22(19-34-18-20)37-31-36-15-12-26(38-31)25-11-8-14-35-30(25)42-29-21(2)27(33)28(23-9-6-7-10-24(23)29)39-43(40,41)16-13-32(3,4)5;1-19-16-21(18-34-17-19)37-30-36-14-11-25(38-30)24-10-7-13-35-29(24)42-28-20(2)26(32)27(22-8-5-6-9-23(22)28)39-43(40,41)15-12-31(3,4)33;1-4-30(32,33)17-43(40,41)39-26-21-8-5-6-9-22(21)27(19(3)25(26)31)42-28-23(10-7-12-35-28)24-11-13-36-29(38-24)37-20-14-18(2)15-34-16-20;1-4-5-15-41(38,39)37-27-22-9-6-7-10-23(22)28(20(3)26(27)31)40-29-24(11-8-13-33-29)25-12-14-34-30(36-25)35-21-16-19(2)17-32-18-21;1-4-14-40(37,38)36-26-21-8-5-6-9-22(21)27(19(3)25(26)30)39-28-23(10-7-12-32-28)24-11-13-33-29(35-24)34-20-15-18(2)16-31-17-20/h3-16,21,24,35,40H,17-20H2,1-2H3,(H,37,38,39);6-12,14-15,20,22,34,39H,13,16-19H2,1-5H3,(H,36,37,38);5-11,13-14,19,21,34,39H,12,15-18H2,1-4H3,(H,36,37,38);5-13,18,20,34,39H,4,14-17H2,1-3H3,(H,36,37,38);6-14,19,21,32,37H,4-5,15-18H2,1-3H3,(H,34,35,36);5-13,18,20,31,36H,4,14-17H2,1-3H3,(H,33,34,35)/t21-,24+;20-,22+;19-,21+;18-,20+;19-,21+;18-,20+/m111111/s1
InChIKeyANUMBHVQYFEPCQ-GTZJHKLESA-N
XLogP36.53
TPSA708.78 Ų
H-Bond Donors18
H-Bond Acceptors48
Rotatable Bonds57
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003588.32
LogP ≤ 536.53
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1048

Analyze 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide 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

N-[4-[[3-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 118721240
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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide?
The IUPAC name of 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide (CID 157174034) is 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide?
The canonical SMILES for 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide is CCC(F)(F)CS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.CCCCS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.CCCS(=O)(=O)Nc1c(F)c(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](C)C3)n2)c2ccccc12.Cc1c(F)c(NS(=O)(=O)CCC(C)(C)C)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1.Cc1c(F)c(NS(=O)(=O)CCC(C)(C)F)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1.Cc1c(F)c(NS(=O)(=O)Cc2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@H](C)C2)n1.
What is the InChIKey of 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide?
The InChIKey is ANUMBHVQYFEPCQ-GTZJHKLESA-N. The full InChI is InChI=1S/C33H33FN6O3S.C32H39FN6O3S.C31H36F2N6O3S.C30H33F3N6O3S.C30H35FN6O3S.C29H33FN6O3S/c1-21-17-24(19-35-18-21)38-33-37-16-14-28(39-33)27-13-8-15-36-32(27)43-31-22(2)29(34)30(25-11-6-7-12-26(25)31)40-44(41,42)20-23-9-4-3-5-10-23;1-20-17-22(19-34-18-20)37-31-36-15-12-26(38-31)25-11-8-14-35-30(25)42-29-21(2)27(33)28(23-9-6-7-10-24(23)29)39-43(40,41)16-13-32(3,4)5;1-19-16-21(18-34-17-19)37-30-36-14-11-25(38-30)24-10-7-13-35-29(24)42-28-20(2)26(32)27(22-8-5-6-9-23(22)28)39-43(40,41)15-12-31(3,4)33;1-4-30(32,33)17-43(40,41)39-26-21-8-5-6-9-22(21)27(19(3)25(26)31)42-28-23(10-7-12-35-28)24-11-13-36-29(38-24)37-20-14-18(2)15-34-16-20;1-4-5-15-41(38,39)37-27-22-9-6-7-10-23(22)28(20(3)26(27)31)40-29-24(11-8-13-33-29)25-12-14-34-30(36-25)35-21-16-19(2)17-32-18-21;1-4-14-40(37,38)36-26-21-8-5-6-9-22(21)27(19(3)25(26)30)39-28-23(10-7-12-32-28)24-11-13-33-29(35-24)34-20-15-18(2)16-31-17-20/h3-16,21,24,35,40H,17-20H2,1-2H3,(H,37,38,39);6-12,14-15,20,22,34,39H,13,16-19H2,1-5H3,(H,36,37,38);5-11,13-14,19,21,34,39H,12,15-18H2,1-4H3,(H,36,37,38);5-13,18,20,34,39H,4,14-17H2,1-3H3,(H,36,37,38);6-14,19,21,32,37H,4-5,15-18H2,1-3H3,(H,34,35,36);5-13,18,20,31,36H,4,14-17H2,1-3H3,(H,33,34,35)/t21-,24+;20-,22+;19-,21+;18-,20+;19-,21+;18-,20+/m111111/s1.
What are the key properties of 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide?
2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide has a molecular weight of 3588.32 g/mol, XLogP of 36.53, 57 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;3-fluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-methylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]butane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide;N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 157174034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).