4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C186H193F7N34O7S2 — CID 158939545

IUPAC4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(CC[C@@H](C)C(F)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@H](C)C(F)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCc3ccccn3)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(C[C@H](C)c3cscn3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(N3CCC4(CC4)C3=O)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1nc(CCc2cccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCNC5)n4)c(C)ccc23)c(C)s1
InChIInChI=1S/C32H31FN6O.C32H34N6OS.C31H32N6O2.C31H32N6OS.2C30H32F3N5O/c1-21-9-11-24-25(12-10-22-6-2-3-17-35-22)28(33)14-13-26(24)30(21)40-31-27(8-5-18-36-31)29-15-19-37-32(39-29)38-23-7-4-16-34-20-23;1-20-11-13-25-23(12-14-28-21(2)40-22(3)36-28)7-4-9-26(25)30(20)39-31-27(10-6-17-34-31)29-15-18-35-32(38-29)37-24-8-5-16-33-19-24;1-20-9-10-22-23(6-2-8-26(22)37-18-14-31(12-13-31)29(37)38)27(20)39-28-24(7-4-16-33-28)25-11-17-34-30(36-25)35-21-5-3-15-32-19-21;1-20-10-11-24-22(16-21(2)28-18-39-19-35-28)6-3-8-25(24)29(20)38-30-26(9-5-14-33-30)27-12-15-34-31(37-27)36-23-7-4-13-32-17-23;2*1-19-10-13-23-21(12-11-20(2)30(31,32)33)6-3-8-24(23)27(19)39-28-25(9-5-16-35-28)26-14-17-36-29(38-26)37-22-7-4-15-34-18-22/h2-3,5-6,8-9,11,13-15,17-19,23,34H,4,7,10,12,16,20H2,1H3,(H,37,38,39);4,6-7,9-11,13,15,17-18,24,33H,5,8,12,14,16,19H2,1-3H3,(H,35,37,38);2,4,6-11,16-17,21,32H,3,5,12-15,18-19H2,1H3,(H,34,35,36);3,5-6,8-12,14-15,18-19,21,23,32H,4,7,13,16-17H2,1-2H3,(H,34,36,37);2*3,5-6,8-10,13-14,16-17,20,22,34H,4,7,11-12,15,18H2,1-2H3,(H,36,37,38)/t23-;24-;21-;21-,23-;20-,22+;20-,22-/m000010/s1
InChIKeyJKBOGBLJXYJSSS-PPKDKAJOSA-N
MW3213.94 g/mol
LogP39.50
Rot. Bonds46

About 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 158939545) has the molecular formula C186H193F7N34O7S2 and a molecular weight of 3213.94 g/mol. Its IUPAC name is 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID158939545
Molecular FormulaC186H193F7N34O7S2
Molecular Weight3213.94 g/mol
Exact Mass3211.51
IUPAC Name4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(CC[C@@H](C)C(F)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@H](C)C(F)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCc3ccccn3)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(C[C@H](C)c3cscn3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(N3CCC4(CC4)C3=O)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1nc(CCc2cccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCNC5)n4)c(C)ccc23)c(C)s1
InChIInChI=1S/C32H31FN6O.C32H34N6OS.C31H32N6O2.C31H32N6OS.2C30H32F3N5O/c1-21-9-11-24-25(12-10-22-6-2-3-17-35-22)28(33)14-13-26(24)30(21)40-31-27(8-5-18-36-31)29-15-19-37-32(39-29)38-23-7-4-16-34-20-23;1-20-11-13-25-23(12-14-28-21(2)40-22(3)36-28)7-4-9-26(25)30(20)39-31-27(10-6-17-34-31)29-15-18-35-32(38-29)37-24-8-5-16-33-19-24;1-20-9-10-22-23(6-2-8-26(22)37-18-14-31(12-13-31)29(37)38)27(20)39-28-24(7-4-16-33-28)25-11-17-34-30(36-25)35-21-5-3-15-32-19-21;1-20-10-11-24-22(16-21(2)28-18-39-19-35-28)6-3-8-25(24)29(20)38-30-26(9-5-14-33-30)27-12-15-34-31(37-27)36-23-7-4-13-32-17-23;2*1-19-10-13-23-21(12-11-20(2)30(31,32)33)6-3-8-24(23)27(19)39-28-25(9-5-16-35-28)26-14-17-36-29(38-26)37-22-7-4-15-34-18-22/h2-3,5-6,8-9,11,13-15,17-19,23,34H,4,7,10,12,16,20H2,1H3,(H,37,38,39);4,6-7,9-11,13,15,17-18,24,33H,5,8,12,14,16,19H2,1-3H3,(H,35,37,38);2,4,6-11,16-17,21,32H,3,5,12-15,18-19H2,1H3,(H,34,35,36);3,5-6,8-12,14-15,18-19,21,23,32H,4,7,13,16-17H2,1-2H3,(H,34,36,37);2*3,5-6,8-10,13-14,16-17,20,22,34H,4,7,11-12,15,18H2,1-2H3,(H,36,37,38)/t23-;24-;21-;21-,23-;20-,22+;20-,22-/m000010/s1
InChIKeyJKBOGBLJXYJSSS-PPKDKAJOSA-N
XLogP39.50
TPSA490.74 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds46
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003213.94
LogP ≤ 539.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-fluoro-5-[[3-[2-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
CID 135326948
Tert-butyl 3-[[4-[2-[6-fluoro-2-methyl-5-[methylsulfonyl(1,3-thiazol-4-yl)amino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 135327052
tert-butyl (3S)-3-[[4-[2-[6-fluoro-2-methyl-5-(1,3-thiazol-4-ylmethylsulfonylamino)naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 135327054
N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
CID 135327112
Tert-butyl 3-[[4-[2-[6-fluoro-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 135327194
tert-butyl (3S)-3-[[4-[2-[6-fluoro-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 135327196
3-[[4-[2-[6-Fluoro-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327291
4-[2-[6-fluoro-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 135327416
4-[2-[6-fluoro-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]naphthalen-1-yl]oxy-3-pyridinyl]-N-piperidin-3-ylpyrimidin-2-amine
CID 135327418
3-[[4-[2-[6-Fluoro-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327533
Tert-butyl 3-[[4-[2-[6-fluoro-2-methyl-5-[methylsulfonyl-(2-methyl-1,3-thiazol-4-yl)amino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 135327763
tert-butyl (3S)-3-[[4-[2-[6-fluoro-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 135327765

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 158939545) is 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is Cc1ccc2c(CC[C@@H](C)C(F)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@H](C)C(F)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCc3ccccn3)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(C[C@H](C)c3cscn3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(N3CCC4(CC4)C3=O)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1nc(CCc2cccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCNC5)n4)c(C)ccc23)c(C)s1.
What is the InChIKey of 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is JKBOGBLJXYJSSS-PPKDKAJOSA-N. The full InChI is InChI=1S/C32H31FN6O.C32H34N6OS.C31H32N6O2.C31H32N6OS.2C30H32F3N5O/c1-21-9-11-24-25(12-10-22-6-2-3-17-35-22)28(33)14-13-26(24)30(21)40-31-27(8-5-18-36-31)29-15-19-37-32(39-29)38-23-7-4-16-34-20-23;1-20-11-13-25-23(12-14-28-21(2)40-22(3)36-28)7-4-9-26(25)30(20)39-31-27(10-6-17-34-31)29-15-18-35-32(38-29)37-24-8-5-16-33-19-24;1-20-9-10-22-23(6-2-8-26(22)37-18-14-31(12-13-31)29(37)38)27(20)39-28-24(7-4-16-33-28)25-11-17-34-30(36-25)35-21-5-3-15-32-19-21;1-20-10-11-24-22(16-21(2)28-18-39-19-35-28)6-3-8-25(24)29(20)38-30-26(9-5-14-33-30)27-12-15-34-31(37-27)36-23-7-4-13-32-17-23;2*1-19-10-13-23-21(12-11-20(2)30(31,32)33)6-3-8-24(23)27(19)39-28-25(9-5-16-35-28)26-14-17-36-29(38-26)37-22-7-4-15-34-18-22/h2-3,5-6,8-9,11,13-15,17-19,23,34H,4,7,10,12,16,20H2,1H3,(H,37,38,39);4,6-7,9-11,13,15,17-18,24,33H,5,8,12,14,16,19H2,1-3H3,(H,35,37,38);2,4,6-11,16-17,21,32H,3,5,12-15,18-19H2,1H3,(H,34,35,36);3,5-6,8-12,14-15,18-19,21,23,32H,4,7,13,16-17H2,1-2H3,(H,34,36,37);2*3,5-6,8-10,13-14,16-17,20,22,34H,4,7,11-12,15,18H2,1-2H3,(H,36,37,38)/t23-;24-;21-;21-,23-;20-,22+;20-,22-/m000010/s1.
What are the key properties of 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 3213.94 g/mol, XLogP of 39.50, 46 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[6-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-5-azaspiro[2.4]heptan-4-one;4-[2-[2-methyl-5-[(2S)-2-(1,3-thiazol-4-yl)propyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3R)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[(3S)-4,4,4-trifluoro-3-methylbutyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 158939545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).