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

C148H182ClF8N31O12 — CID 158106325

IUPAC(2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(Cl)cc3c2C)n1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(F)cc3c2C)n1
InChIInChI=1S/C26H32N6O2.C25H31F2N5O2.C25H32FN5O2.C24H29ClFN5O2.2C24H29F2N5O2/c1-15-11-19(14-27)24-22(12-15)17(3)23(26-28-18(4)31-34-26)25(30-24)32-8-5-21(13-16(32)2)29-20-6-9-33-10-7-20;1-4-16-11-18-14(2)22(25-28-15(3)31-34-25)24(30-23(18)19(26)12-16)32-8-5-21(20(27)13-32)29-17-6-9-33-10-7-17;1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19;2*1-13-10-18(28-17-5-8-32-9-6-17)4-7-31(13)23-21(24-27-15(3)30-33-24)14(2)19-11-16(25)12-20(26)22(19)29-23;1-13-10-17-14(2)21(24-27-15(3)30-33-24)23(29-22(17)18(25)11-13)31-7-4-20(19(26)12-31)28-16-5-8-32-9-6-16/h11-12,16,20-21,29H,5-10,13H2,1-4H3;11-12,17,20-21,29H,4-10,13H2,1-3H3;13-14,18-19,28H,4-12H2,1-3H3;2*11-13,17-18,28H,4-10H2,1-3H3;10-11,16,19-20,28H,4-9,12H2,1-3H3/t16-,21-;20-,21-;;2*13-,18-;19-,20-/m11.110/s1
InChIKeyFPWMVJKOVYPWLB-GTRWHEOJSA-N
MW2774.73 g/mol
LogP26.00
Rot. Bonds26

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

(2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 158106325) has the molecular formula C148H182ClF8N31O12 and a molecular weight of 2774.73 g/mol. Its IUPAC name is (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name(2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID158106325
Molecular FormulaC148H182ClF8N31O12
Molecular Weight2774.73 g/mol
Exact Mass2772.41
IUPAC Name(2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(Cl)cc3c2C)n1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(F)cc3c2C)n1
InChIInChI=1S/C26H32N6O2.C25H31F2N5O2.C25H32FN5O2.C24H29ClFN5O2.2C24H29F2N5O2/c1-15-11-19(14-27)24-22(12-15)17(3)23(26-28-18(4)31-34-26)25(30-24)32-8-5-21(13-16(32)2)29-20-6-9-33-10-7-20;1-4-16-11-18-14(2)22(25-28-15(3)31-34-25)24(30-23(18)19(26)12-16)32-8-5-21(20(27)13-32)29-17-6-9-33-10-7-17;1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19;2*1-13-10-18(28-17-5-8-32-9-6-17)4-7-31(13)23-21(24-27-15(3)30-33-24)14(2)19-11-16(25)12-20(26)22(19)29-23;1-13-10-17-14(2)21(24-27-15(3)30-33-24)23(29-22(17)18(25)11-13)31-7-4-20(19(26)12-31)28-16-5-8-32-9-6-16/h11-12,16,20-21,29H,5-10,13H2,1-4H3;11-12,17,20-21,29H,4-10,13H2,1-3H3;13-14,18-19,28H,4-12H2,1-3H3;2*11-13,17-18,28H,4-10H2,1-3H3;10-11,16,19-20,28H,4-9,12H2,1-3H3/t16-,21-;20-,21-;;2*13-,18-;19-,20-/m11.110/s1
InChIKeyFPWMVJKOVYPWLB-GTRWHEOJSA-N
XLogP26.00
TPSA481.65 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds26
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002774.73
LogP ≤ 526.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 158106325) is (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(Cl)cc3c2C)n1.Cc1noc(-c2c(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)nc3c(F)cc(F)cc3c2C)n1.
What is the InChIKey of (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is FPWMVJKOVYPWLB-GTRWHEOJSA-N. The full InChI is InChI=1S/C26H32N6O2.C25H31F2N5O2.C25H32FN5O2.C24H29ClFN5O2.2C24H29F2N5O2/c1-15-11-19(14-27)24-22(12-15)17(3)23(26-28-18(4)31-34-26)25(30-24)32-8-5-21(13-16(32)2)29-20-6-9-33-10-7-20;1-4-16-11-18-14(2)22(25-28-15(3)31-34-25)24(30-23(18)19(26)12-16)32-8-5-21(20(27)13-32)29-17-6-9-33-10-7-17;1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19;2*1-13-10-18(28-17-5-8-32-9-6-17)4-7-31(13)23-21(24-27-15(3)30-33-24)14(2)19-11-16(25)12-20(26)22(19)29-23;1-13-10-17-14(2)21(24-27-15(3)30-33-24)23(29-22(17)18(25)11-13)31-7-4-20(19(26)12-31)28-16-5-8-32-9-6-16/h11-12,16,20-21,29H,5-10,13H2,1-4H3;11-12,17,20-21,29H,4-10,13H2,1-3H3;13-14,18-19,28H,4-12H2,1-3H3;2*11-13,17-18,28H,4-10H2,1-3H3;10-11,16,19-20,28H,4-9,12H2,1-3H3/t16-,21-;20-,21-;;2*13-,18-;19-,20-/m11.110/s1.
What are the key properties of (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
(2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 2774.73 g/mol, XLogP of 26.00, 26 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[6-chloro-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;(2R,4R)-1-[6,8-difluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(3R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(3S,4S)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 158106325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).