(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine

C155H200F5N31O14 — CID 158691560

IUPAC(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1.[2H]C([2H])([2H])Oc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C27H36FN5O2.C27H34N6O2.C26H34FN5O2.2C25H32FN5O3.C25H32FN5O2/c1-15(2)19-13-22-17(4)24(27-29-18(5)32-35-27)26(31-25(22)23(28)14-19)33-9-6-21(12-16(33)3)30-20-7-10-34-11-8-20;1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21;1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;2*1-14-11-18(28-17-6-9-33-10-7-17)5-8-31(14)24-22(25-27-16(3)30-34-25)15(2)20-12-19(32-4)13-21(26)23(20)29-24;1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18/h13-16,20-21,30H,6-12H2,1-5H3;13-14,16,21-22,30H,5-12H2,1-4H3;13-15,19-20,29H,5-12H2,1-4H3;2*12-14,17-18,28H,5-11H2,1-4H3;11-12,15,18-19,28H,5-10,13H2,1-4H3/t16-,21-;16-,22-;15-,20-;2*14-,18-;15-,19-/m111111/s1/i;;;4D3;;
InChIKeyIGKIOXCMOWWSQS-BRSLZGERSA-N
MW2819.52 g/mol
LogP27.31
Rot. Bonds30

About (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine

(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 158691560) has the molecular formula C155H200F5N31O14 and a molecular weight of 2819.52 g/mol. Its IUPAC name is (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
PubChem CID158691560
Molecular FormulaC155H200F5N31O14
Molecular Weight2819.52 g/mol
Exact Mass2817.60
IUPAC Name(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1.[2H]C([2H])([2H])Oc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C27H36FN5O2.C27H34N6O2.C26H34FN5O2.2C25H32FN5O3.C25H32FN5O2/c1-15(2)19-13-22-17(4)24(27-29-18(5)32-35-27)26(31-25(22)23(28)14-19)33-9-6-21(12-16(33)3)30-20-7-10-34-11-8-20;1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21;1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;2*1-14-11-18(28-17-6-9-33-10-7-17)5-8-31(14)24-22(25-27-16(3)30-34-25)15(2)20-12-19(32-4)13-21(26)23(20)29-24;1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18/h13-16,20-21,30H,6-12H2,1-5H3;13-14,16,21-22,30H,5-12H2,1-4H3;13-15,19-20,29H,5-12H2,1-4H3;2*12-14,17-18,28H,5-11H2,1-4H3;11-12,15,18-19,28H,5-10,13H2,1-4H3/t16-,21-;16-,22-;15-,20-;2*14-,18-;15-,19-/m111111/s1/i;;;4D3;;
InChIKeyIGKIOXCMOWWSQS-BRSLZGERSA-N
XLogP27.31
TPSA500.11 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002819.52
LogP ≤ 527.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine (CID 158691560) is (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine is CCc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1.[2H]C([2H])([2H])Oc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is IGKIOXCMOWWSQS-BRSLZGERSA-N. The full InChI is InChI=1S/C27H36FN5O2.C27H34N6O2.C26H34FN5O2.2C25H32FN5O3.C25H32FN5O2/c1-15(2)19-13-22-17(4)24(27-29-18(5)32-35-27)26(31-25(22)23(28)14-19)33-9-6-21(12-16(33)3)30-20-7-10-34-11-8-20;1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21;1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;2*1-14-11-18(28-17-6-9-33-10-7-17)5-8-31(14)24-22(25-27-16(3)30-34-25)15(2)20-12-19(32-4)13-21(26)23(20)29-24;1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18/h13-16,20-21,30H,6-12H2,1-5H3;13-14,16,21-22,30H,5-12H2,1-4H3;13-15,19-20,29H,5-12H2,1-4H3;2*12-14,17-18,28H,5-11H2,1-4H3;11-12,15,18-19,28H,5-10,13H2,1-4H3/t16-,21-;16-,22-;15-,20-;2*14-,18-;15-,19-/m111111/s1/i;;;4D3;;.
What are the key properties of (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine?
(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 2819.52 g/mol, XLogP of 27.31, 30 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2R,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethoxy)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 158691560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).