[(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C220H308F27N27O16 — CID 158743615

IUPAC[(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCC(O)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCCC2)C1.CC1CC(C)CN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CC1CCCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CC1CCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CCOC(=O)C1CCCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CCOC(=O)C1CCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CNC(=O)C1CCN(C2CC[C@@](C(=O)C3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/2C26H36F3N3O3.C26H36F3N3O2.C25H36F3N3O.2C24H34F3N3O.2C23H32F3N3O2.C23H32F3N3O/c1-4-35-23(33)18-6-10-31(11-7-18)21-5-9-25(14-21,17(2)3)24(34)32-12-8-22-19(16-32)13-20(15-30-22)26(27,28)29;1-4-35-23(33)18-6-5-10-31(15-18)21-7-9-25(13-21,17(2)3)24(34)32-11-8-22-19(16-32)12-20(14-30-22)26(27,28)29;1-16(2)25(9-6-21(14-25)32-10-7-17(8-11-32)24(34)30-3)23(33)18-4-5-22-19(12-18)13-20(15-31-22)26(27,28)29;1-16(2)24(7-5-21(11-24)31-13-17(3)9-18(4)14-31)23(32)30-8-6-22-19(15-30)10-20(12-29-22)25(26,27)28;1-16(2)23(8-4-20(13-23)29-9-5-17(3)6-10-29)22(31)30-11-7-21-18(15-30)12-19(14-28-21)24(25,26)27;1-16(2)23(8-6-20(12-23)29-9-4-5-17(3)14-29)22(31)30-10-7-21-18(15-30)11-19(13-28-21)24(25,26)27;1-15(2)22(7-3-18(12-22)28-8-4-19(30)5-9-28)21(31)29-10-6-20-16(14-29)11-17(13-27-20)23(24,25)26;1-15(2)22(7-5-18(11-22)28-8-3-4-19(30)14-28)21(31)29-9-6-20-16(13-29)10-17(12-27-20)23(24,25)26;1-16(2)22(8-6-19(13-22)28-9-4-3-5-10-28)21(30)29-11-7-20-17(15-29)12-18(14-27-20)23(24,25)26/h13,15,17-18,21H,4-12,14,16H2,1-3H3;12,14,17-18,21H,4-11,13,15-16H2,1-3H3;13,15-18,21H,4-12,14H2,1-3H3,(H,30,34);10,12,16-18,21H,5-9,11,13-15H2,1-4H3;12,14,16-17,20H,4-11,13,15H2,1-3H3;11,13,16-17,20H,4-10,12,14-15H2,1-3H3;11,13,15,18-19,30H,3-10,12,14H2,1-2H3;10,12,15,18-19,30H,3-9,11,13-14H2,1-2H3;12,14,16,19H,3-11,13,15H2,1-2H3/t21?,25-;2*18?,21?,25-;17?,18?,21?,24-;20?,23-;17?,20?,23-;18?,22-;18?,19?,22-;19?,22-/m000000000/s1
InChIKeyIMPNAENSALFMEA-RVGJACSQSA-N
MW4100.00 g/mol
LogP40.26
Rot. Bonds33

About [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 158743615) has the molecular formula C220H308F27N27O16 and a molecular weight of 4100.00 g/mol. Its IUPAC name is [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID158743615
Molecular FormulaC220H308F27N27O16
Molecular Weight4100.00 g/mol
Exact Mass4097.37
IUPAC Name[(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCC(O)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCCC2)C1.CC1CC(C)CN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CC1CCCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CC1CCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CCOC(=O)C1CCCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CCOC(=O)C1CCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CNC(=O)C1CCN(C2CC[C@@](C(=O)C3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/2C26H36F3N3O3.C26H36F3N3O2.C25H36F3N3O.2C24H34F3N3O.2C23H32F3N3O2.C23H32F3N3O/c1-4-35-23(33)18-6-10-31(11-7-18)21-5-9-25(14-21,17(2)3)24(34)32-12-8-22-19(16-32)13-20(15-30-22)26(27,28)29;1-4-35-23(33)18-6-5-10-31(15-18)21-7-9-25(13-21,17(2)3)24(34)32-11-8-22-19(16-32)12-20(14-30-22)26(27,28)29;1-16(2)25(9-6-21(14-25)32-10-7-17(8-11-32)24(34)30-3)23(33)18-4-5-22-19(12-18)13-20(15-31-22)26(27,28)29;1-16(2)24(7-5-21(11-24)31-13-17(3)9-18(4)14-31)23(32)30-8-6-22-19(15-30)10-20(12-29-22)25(26,27)28;1-16(2)23(8-4-20(13-23)29-9-5-17(3)6-10-29)22(31)30-11-7-21-18(15-30)12-19(14-28-21)24(25,26)27;1-16(2)23(8-6-20(12-23)29-9-4-5-17(3)14-29)22(31)30-10-7-21-18(15-30)11-19(13-28-21)24(25,26)27;1-15(2)22(7-3-18(12-22)28-8-4-19(30)5-9-28)21(31)29-10-6-20-16(14-29)11-17(13-27-20)23(24,25)26;1-15(2)22(7-5-18(11-22)28-8-3-4-19(30)14-28)21(31)29-9-6-20-16(13-29)10-17(12-27-20)23(24,25)26;1-16(2)22(8-6-19(13-22)28-9-4-3-5-10-28)21(30)29-11-7-20-17(15-29)12-18(14-27-20)23(24,25)26/h13,15,17-18,21H,4-12,14,16H2,1-3H3;12,14,17-18,21H,4-11,13,15-16H2,1-3H3;13,15-18,21H,4-12,14H2,1-3H3,(H,30,34);10,12,16-18,21H,5-9,11,13-15H2,1-4H3;12,14,16-17,20H,4-11,13,15H2,1-3H3;11,13,16-17,20H,4-10,12,14-15H2,1-3H3;11,13,15,18-19,30H,3-10,12,14H2,1-2H3;10,12,15,18-19,30H,3-9,11,13-14H2,1-2H3;12,14,16,19H,3-11,13,15H2,1-2H3/t21?,25-;2*18?,21?,25-;17?,18?,21?,24-;20?,23-;17?,20?,23-;18?,22-;18?,19?,22-;19?,22-/m000000000/s1
InChIKeyIMPNAENSALFMEA-RVGJACSQSA-N
XLogP40.26
TPSA446.88 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004100.00
LogP ≤ 540.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone with MolForge

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What is the IUPAC name of [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 158743615) is [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCC(O)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCCC2)C1.CC1CC(C)CN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CC1CCCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CC1CCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CCOC(=O)C1CCCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CCOC(=O)C1CCN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CNC(=O)C1CCN(C2CC[C@@](C(=O)C3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.
What is the InChIKey of [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is IMPNAENSALFMEA-RVGJACSQSA-N. The full InChI is InChI=1S/2C26H36F3N3O3.C26H36F3N3O2.C25H36F3N3O.2C24H34F3N3O.2C23H32F3N3O2.C23H32F3N3O/c1-4-35-23(33)18-6-10-31(11-7-18)21-5-9-25(14-21,17(2)3)24(34)32-12-8-22-19(16-32)13-20(15-30-22)26(27,28)29;1-4-35-23(33)18-6-5-10-31(15-18)21-7-9-25(13-21,17(2)3)24(34)32-11-8-22-19(16-32)12-20(14-30-22)26(27,28)29;1-16(2)25(9-6-21(14-25)32-10-7-17(8-11-32)24(34)30-3)23(33)18-4-5-22-19(12-18)13-20(15-31-22)26(27,28)29;1-16(2)24(7-5-21(11-24)31-13-17(3)9-18(4)14-31)23(32)30-8-6-22-19(15-30)10-20(12-29-22)25(26,27)28;1-16(2)23(8-4-20(13-23)29-9-5-17(3)6-10-29)22(31)30-11-7-21-18(15-30)12-19(14-28-21)24(25,26)27;1-16(2)23(8-6-20(12-23)29-9-4-5-17(3)14-29)22(31)30-10-7-21-18(15-30)11-19(13-28-21)24(25,26)27;1-15(2)22(7-3-18(12-22)28-8-4-19(30)5-9-28)21(31)29-10-6-20-16(14-29)11-17(13-27-20)23(24,25)26;1-15(2)22(7-5-18(11-22)28-8-3-4-19(30)14-28)21(31)29-9-6-20-16(13-29)10-17(12-27-20)23(24,25)26;1-16(2)22(8-6-19(13-22)28-9-4-3-5-10-28)21(30)29-11-7-20-17(15-29)12-18(14-27-20)23(24,25)26/h13,15,17-18,21H,4-12,14,16H2,1-3H3;12,14,17-18,21H,4-11,13,15-16H2,1-3H3;13,15-18,21H,4-12,14H2,1-3H3,(H,30,34);10,12,16-18,21H,5-9,11,13-15H2,1-4H3;12,14,16-17,20H,4-11,13,15H2,1-3H3;11,13,16-17,20H,4-10,12,14-15H2,1-3H3;11,13,15,18-19,30H,3-10,12,14H2,1-2H3;10,12,15,18-19,30H,3-9,11,13-14H2,1-2H3;12,14,16,19H,3-11,13,15H2,1-2H3/t21?,25-;2*18?,21?,25-;17?,18?,21?,24-;20?,23-;17?,20?,23-;18?,22-;18?,19?,22-;19?,22-/m000000000/s1.
What are the key properties of [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 4100.00 g/mol, XLogP of 40.26, 33 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate;ethyl 1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(3-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S)-3-(4-methylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carbonyl]cyclopentyl]piperidine-4-carboxamide;[(1S)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 158743615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).