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

C151H185F3N34O12 — CID 157081852

IUPAC6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile
SMILESCCc1cc(C#N)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(C#N)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1.[C-]#[N+]c1cc(C#N)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C26H34FN5O2.2C26H32N6O2.C25H27N7O2.2C24H30FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20;2*1-5-18-11-19(13-27)24-22(12-18)16(3)23(26-28-17(4)31-34-26)25(30-24)32-8-6-20(10-15(32)2)29-21-7-9-33-14-21;1-14-9-18(29-19-6-8-33-13-19)5-7-32(14)24-22(25-28-16(3)31-34-25)15(2)21-11-20(27-4)10-17(12-26)23(21)30-24;2*1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3;2*11-12,15,20-21,29H,5-10,14H2,1-4H3;10-11,14,18-19,29H,5-9,13H2,1-3H3;2*9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t15-,19-,20-;15-,20-,21+;15-,20-,21-;14-,18-,19-;14-,17+,18+;14-,17-,18+/m111111/s1
InChIKeyADQIAMBRCPDGHX-DUFXPVDUSA-N
MW2725.36 g/mol
LogP25.27
Rot. Bonds27

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

6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile (PubChem CID 157081852) has the molecular formula C151H185F3N34O12 and a molecular weight of 2725.36 g/mol. Its IUPAC name is 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile
PubChem CID157081852
Molecular FormulaC151H185F3N34O12
Molecular Weight2725.36 g/mol
Exact Mass2723.49
IUPAC Name6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile
SMILESCCc1cc(C#N)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(C#N)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1.[C-]#[N+]c1cc(C#N)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C26H34FN5O2.2C26H32N6O2.C25H27N7O2.2C24H30FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20;2*1-5-18-11-19(13-27)24-22(12-18)16(3)23(26-28-17(4)31-34-26)25(30-24)32-8-6-20(10-15(32)2)29-21-7-9-33-14-21;1-14-9-18(29-19-6-8-33-13-19)5-7-32(14)24-22(25-28-16(3)31-34-25)15(2)21-11-20(27-4)10-17(12-26)23(21)30-24;2*1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3;2*11-12,15,20-21,29H,5-10,14H2,1-4H3;10-11,14,18-19,29H,5-9,13H2,1-3H3;2*9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t15-,19-,20-;15-,20-,21+;15-,20-,21-;14-,18-,19-;14-,17+,18+;14-,17-,18+/m111111/s1
InChIKeyADQIAMBRCPDGHX-DUFXPVDUSA-N
XLogP25.27
TPSA533.59 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002725.36
LogP ≤ 525.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile?
The IUPAC name of 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile (CID 157081852) is 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile?
The canonical SMILES for 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile is CCc1cc(C#N)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(C#N)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1.[C-]#[N+]c1cc(C#N)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile?
The InChIKey is ADQIAMBRCPDGHX-DUFXPVDUSA-N. The full InChI is InChI=1S/C26H34FN5O2.2C26H32N6O2.C25H27N7O2.2C24H30FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20;2*1-5-18-11-19(13-27)24-22(12-18)16(3)23(26-28-17(4)31-34-26)25(30-24)32-8-6-20(10-15(32)2)29-21-7-9-33-14-21;1-14-9-18(29-19-6-8-33-13-19)5-7-32(14)24-22(25-28-16(3)31-34-25)15(2)21-11-20(27-4)10-17(12-26)23(21)30-24;2*1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3;2*11-12,15,20-21,29H,5-10,14H2,1-4H3;10-11,14,18-19,29H,5-9,13H2,1-3H3;2*9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t15-,19-,20-;15-,20-,21+;15-,20-,21-;14-,18-,19-;14-,17+,18+;14-,17-,18+/m111111/s1.
What are the key properties of 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile?
6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile has a molecular weight of 2725.36 g/mol, XLogP of 25.27, 27 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]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-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4S)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-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-[(3R)-oxolan-3-yl]piperidin-4-amine;6-isocyano-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 157081852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).