5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane

C159H176F15N53O4S — CID 167673794

IUPAC5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane
SMILESC.C[C@@H]1CC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5nnnn5C)ccc43)n2)CN1.C[C@H]1CC[C@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5nnnn5C)ccc43)n2)CN1.Cc1nc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)no1.Cc1nc(-c2ccc3c(n2)CN=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)no1.Cc1nc(-c2ccc3c(n2)CN=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)no1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F.Cc1nsc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F
InChIInChI=1S/C24H25F3N6O.C24H26F2N6S.C23H25F2N7O.2C22H25F2N9.C22H24F2N8O.C21H22F2N8O.CH4/c1-12-4-5-15(10-28-12)30-23-29-11-18(24(25,26)27)22(32-23)17-7-8-19-16(17)6-9-20(31-19)21-13(2)33-34-14(21)3;1-13-21(14(2)33-32-13)20-9-6-16-17(7-8-19(16)30-20)22-18(24(3,25)26)12-28-23(31-22)29-15-5-4-10-27-11-15;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)33-32-21;2*1-12-4-5-13(10-25-12)27-21-26-11-16(22(2,23)24)19(29-21)15-7-8-17-14(15)6-9-18(28-17)20-30-31-32-33(20)3;1-11-4-5-13(8-25-11)29-21-27-9-15(22(3,23)24)19(31-21)18-14-6-7-16(30-17(14)10-26-18)20-28-12(2)33-32-20;1-11-27-19(31-32-11)15-6-5-13-16(29-15)10-25-17(13)18-14(21(2,22)23)9-26-20(30-18)28-12-4-3-7-24-8-12;/h6-7,9,11-12,15,28H,4-5,8,10H2,1-3H3,(H,29,30,32);6-7,9,12,15,27H,4-5,8,10-11H2,1-3H3,(H,28,29,31);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);2*6-7,9,11-13,25H,4-5,8,10H2,1-3H3,(H,26,27,29);6-7,9,11,13,25H,4-5,8,10H2,1-3H3,(H,27,29,31);5-6,9,12,24H,3-4,7-8,10H2,1-2H3,(H,26,28,30);1H4/t12-,15-;15-;12-,14-;2*12-,13-;11-,13-;12-;/m1001000./s1
InChIKeyUNESQRJZTZMLHB-BQEKKWJRSA-N
MW3210.56 g/mol
LogP25.63
Rot. Bonds34

About 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane

5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane (PubChem CID 167673794) has the molecular formula C159H176F15N53O4S and a molecular weight of 3210.56 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane
PubChem CID167673794
Molecular FormulaC159H176F15N53O4S
Molecular Weight3210.56 g/mol
Exact Mass3208.47
IUPAC Name5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane
SMILESC.C[C@@H]1CC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5nnnn5C)ccc43)n2)CN1.C[C@H]1CC[C@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5nnnn5C)ccc43)n2)CN1.Cc1nc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)no1.Cc1nc(-c2ccc3c(n2)CN=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)no1.Cc1nc(-c2ccc3c(n2)CN=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)no1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F.Cc1nsc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F
InChIInChI=1S/C24H25F3N6O.C24H26F2N6S.C23H25F2N7O.2C22H25F2N9.C22H24F2N8O.C21H22F2N8O.CH4/c1-12-4-5-15(10-28-12)30-23-29-11-18(24(25,26)27)22(32-23)17-7-8-19-16(17)6-9-20(31-19)21-13(2)33-34-14(21)3;1-13-21(14(2)33-32-13)20-9-6-16-17(7-8-19(16)30-20)22-18(24(3,25)26)12-28-23(31-22)29-15-5-4-10-27-11-15;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)33-32-21;2*1-12-4-5-13(10-25-12)27-21-26-11-16(22(2,23)24)19(29-21)15-7-8-17-14(15)6-9-18(28-17)20-30-31-32-33(20)3;1-11-4-5-13(8-25-11)29-21-27-9-15(22(3,23)24)19(31-21)18-14-6-7-16(30-17(14)10-26-18)20-28-12(2)33-32-20;1-11-27-19(31-32-11)15-6-5-13-16(29-15)10-25-17(13)18-14(21(2,22)23)9-26-20(30-18)28-12-4-3-7-24-8-12;/h6-7,9,11-12,15,28H,4-5,8,10H2,1-3H3,(H,29,30,32);6-7,9,12,15,27H,4-5,8,10-11H2,1-3H3,(H,28,29,31);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);2*6-7,9,11-13,25H,4-5,8,10H2,1-3H3,(H,26,27,29);6-7,9,11,13,25H,4-5,8,10H2,1-3H3,(H,27,29,31);5-6,9,12,24H,3-4,7-8,10H2,1-2H3,(H,26,28,30);1H4/t12-,15-;15-;12-,14-;2*12-,13-;11-,13-;12-;/m1001000./s1
InChIKeyUNESQRJZTZMLHB-BQEKKWJRSA-N
XLogP25.63
TPSA706.71 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds34
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003210.56
LogP ≤ 525.63
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Analyze 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane?
The IUPAC name of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane (CID 167673794) is 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane is C.C[C@@H]1CC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5nnnn5C)ccc43)n2)CN1.C[C@H]1CC[C@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5nnnn5C)ccc43)n2)CN1.Cc1nc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)no1.Cc1nc(-c2ccc3c(n2)CN=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)no1.Cc1nc(-c2ccc3c(n2)CN=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)no1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F.Cc1nsc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane?
The InChIKey is UNESQRJZTZMLHB-BQEKKWJRSA-N. The full InChI is InChI=1S/C24H25F3N6O.C24H26F2N6S.C23H25F2N7O.2C22H25F2N9.C22H24F2N8O.C21H22F2N8O.CH4/c1-12-4-5-15(10-28-12)30-23-29-11-18(24(25,26)27)22(32-23)17-7-8-19-16(17)6-9-20(31-19)21-13(2)33-34-14(21)3;1-13-21(14(2)33-32-13)20-9-6-16-17(7-8-19(16)30-20)22-18(24(3,25)26)12-28-23(31-22)29-15-5-4-10-27-11-15;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)33-32-21;2*1-12-4-5-13(10-25-12)27-21-26-11-16(22(2,23)24)19(29-21)15-7-8-17-14(15)6-9-18(28-17)20-30-31-32-33(20)3;1-11-4-5-13(8-25-11)29-21-27-9-15(22(3,23)24)19(31-21)18-14-6-7-16(30-17(14)10-26-18)20-28-12(2)33-32-20;1-11-27-19(31-32-11)15-6-5-13-16(29-15)10-25-17(13)18-14(21(2,22)23)9-26-20(30-18)28-12-4-3-7-24-8-12;/h6-7,9,11-12,15,28H,4-5,8,10H2,1-3H3,(H,29,30,32);6-7,9,12,15,27H,4-5,8,10-11H2,1-3H3,(H,28,29,31);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);2*6-7,9,11-13,25H,4-5,8,10H2,1-3H3,(H,26,27,29);6-7,9,11,13,25H,4-5,8,10H2,1-3H3,(H,27,29,31);5-6,9,12,24H,3-4,7-8,10H2,1-2H3,(H,26,28,30);1H4/t12-,15-;15-;12-,14-;2*12-,13-;11-,13-;12-;/m1001000./s1.
What are the key properties of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane?
5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane has a molecular weight of 3210.56 g/mol, XLogP of 25.63, 34 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-thiazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(1-methyltetrazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;methane is sourced from PubChem (CID 167673794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).