1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid

C196H241F23N24O24 — CID 161104072

IUPAC1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid
SMILESCC1CN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1CCCC(=O)O.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)N[C@H](C)C(=O)OC)CC2)C1.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)C1.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)Nc3cccc(C(=O)OC)c3)CC2)C1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(F)c3)C2)CC1.O=C(O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(F)c3)C2)CC1.O=C(O)C1C[C@@H]1[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCCC2)C1
InChIInChI=1S/2C31H37F3N4O4.C28H31F4N3O3.C28H40F3N3O3.C27H29F4N3O3.C27H37F3N4O4.C24H30F3N3O3/c1-3-30(29(41)38-15-11-26-22(19-38)16-23(18-35-26)31(32,33)34)12-8-25(17-30)37-13-9-20(10-14-37)27(39)36-24-6-4-21(5-7-24)28(40)42-2;1-3-30(29(41)38-14-10-26-22(19-38)15-23(18-35-26)31(32,33)34)11-7-25(17-30)37-12-8-20(9-13-37)27(39)36-24-6-4-5-21(16-24)28(40)42-2;1-38-25(36)18-6-10-34(11-7-18)23-5-9-27(15-23,20-3-2-4-22(29)14-20)26(37)35-12-8-24-19(17-35)13-21(16-33-24)28(30,31)32;1-18(2)27(26(37)34-12-9-24-21(17-34)13-22(15-32-24)28(29,30)31)10-7-23(14-27)33-11-8-20(19(3)16-33)5-4-6-25(35)36;28-21-3-1-2-19(13-21)26(8-4-22(14-26)33-9-5-17(6-10-33)24(35)36)25(37)34-11-7-23-18(16-34)12-20(15-32-23)27(29,30)31;1-4-26(25(37)34-12-8-22-19(16-34)13-20(15-31-22)27(28,29)30)9-5-21(14-26)33-10-6-18(7-11-33)23(35)32-17(2)24(36)38-3;25-24(26,27)16-10-15-14-30(9-5-20(15)28-13-16)22(33)23(19-11-18(19)21(31)32)6-4-17(12-23)29-7-2-1-3-8-29/h4-7,16,18,20,25H,3,8-15,17,19H2,1-2H3,(H,36,39);4-6,15-16,18,20,25H,3,7-14,17,19H2,1-2H3,(H,36,39);2-4,13-14,16,18,23H,5-12,15,17H2,1H3;13,15,18-20,23H,4-12,14,16-17H2,1-3H3,(H,35,36);1-3,12-13,15,17,22H,4-11,14,16H2,(H,35,36);13,15,17-18,21H,4-12,14,16H2,1-3H3,(H,32,35);10,13,17-19H,1-9,11-12,14H2,(H,31,32)/t2*25?,30-;;19?,20?,23?,27-;;17-,21?,26+;17-,18?,19+,23+/m00.0.11/s1
InChIKeyUIUWDGLXACVWTD-COVRFLQDSA-N
MW3754.18 g/mol
LogP31.50
Rot. Bonds37

About 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid

1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid (PubChem CID 161104072) has the molecular formula C196H241F23N24O24 and a molecular weight of 3754.18 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid
PubChem CID161104072
Molecular FormulaC196H241F23N24O24
Molecular Weight3754.18 g/mol
Exact Mass3751.80
IUPAC Name1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid
SMILESCC1CN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1CCCC(=O)O.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)N[C@H](C)C(=O)OC)CC2)C1.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)C1.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)Nc3cccc(C(=O)OC)c3)CC2)C1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(F)c3)C2)CC1.O=C(O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(F)c3)C2)CC1.O=C(O)C1C[C@@H]1[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCCC2)C1
InChIInChI=1S/2C31H37F3N4O4.C28H31F4N3O3.C28H40F3N3O3.C27H29F4N3O3.C27H37F3N4O4.C24H30F3N3O3/c1-3-30(29(41)38-15-11-26-22(19-38)16-23(18-35-26)31(32,33)34)12-8-25(17-30)37-13-9-20(10-14-37)27(39)36-24-6-4-21(5-7-24)28(40)42-2;1-3-30(29(41)38-14-10-26-22(19-38)15-23(18-35-26)31(32,33)34)11-7-25(17-30)37-12-8-20(9-13-37)27(39)36-24-6-4-5-21(16-24)28(40)42-2;1-38-25(36)18-6-10-34(11-7-18)23-5-9-27(15-23,20-3-2-4-22(29)14-20)26(37)35-12-8-24-19(17-35)13-21(16-33-24)28(30,31)32;1-18(2)27(26(37)34-12-9-24-21(17-34)13-22(15-32-24)28(29,30)31)10-7-23(14-27)33-11-8-20(19(3)16-33)5-4-6-25(35)36;28-21-3-1-2-19(13-21)26(8-4-22(14-26)33-9-5-17(6-10-33)24(35)36)25(37)34-11-7-23-18(16-34)12-20(15-32-23)27(29,30)31;1-4-26(25(37)34-12-8-22-19(16-34)13-20(15-31-22)27(28,29)30)9-5-21(14-26)33-10-6-18(7-11-33)23(35)32-17(2)24(36)38-3;25-24(26,27)16-10-15-14-30(9-5-20(15)28-13-16)22(33)23(19-11-18(19)21(31)32)6-4-17(12-23)29-7-2-1-3-8-29/h4-7,16,18,20,25H,3,8-15,17,19H2,1-2H3,(H,36,39);4-6,15-16,18,20,25H,3,7-14,17,19H2,1-2H3,(H,36,39);2-4,13-14,16,18,23H,5-12,15,17H2,1H3;13,15,18-20,23H,4-12,14,16-17H2,1-3H3,(H,35,36);1-3,12-13,15,17,22H,4-11,14,16H2,(H,35,36);13,15,17-18,21H,4-12,14,16H2,1-3H3,(H,32,35);10,13,17-19H,1-9,11-12,14H2,(H,31,32)/t2*25?,30-;;19?,20?,23?,27-;;17-,21?,26+;17-,18?,19+,23+/m00.0.11/s1
InChIKeyUIUWDGLXACVWTD-COVRFLQDSA-N
XLogP31.50
TPSA559.48 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003754.18
LogP ≤ 531.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid (CID 161104072) is 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid is CC1CN(C2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1CCCC(=O)O.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)N[C@H](C)C(=O)OC)CC2)C1.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)C1.CC[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)Nc3cccc(C(=O)OC)c3)CC2)C1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(F)c3)C2)CC1.O=C(O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(F)c3)C2)CC1.O=C(O)C1C[C@@H]1[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCCC2)C1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid?
The InChIKey is UIUWDGLXACVWTD-COVRFLQDSA-N. The full InChI is InChI=1S/2C31H37F3N4O4.C28H31F4N3O3.C28H40F3N3O3.C27H29F4N3O3.C27H37F3N4O4.C24H30F3N3O3/c1-3-30(29(41)38-15-11-26-22(19-38)16-23(18-35-26)31(32,33)34)12-8-25(17-30)37-13-9-20(10-14-37)27(39)36-24-6-4-21(5-7-24)28(40)42-2;1-3-30(29(41)38-14-10-26-22(19-38)15-23(18-35-26)31(32,33)34)11-7-25(17-30)37-12-8-20(9-13-37)27(39)36-24-6-4-5-21(16-24)28(40)42-2;1-38-25(36)18-6-10-34(11-7-18)23-5-9-27(15-23,20-3-2-4-22(29)14-20)26(37)35-12-8-24-19(17-35)13-21(16-33-24)28(30,31)32;1-18(2)27(26(37)34-12-9-24-21(17-34)13-22(15-32-24)28(29,30)31)10-7-23(14-27)33-11-8-20(19(3)16-33)5-4-6-25(35)36;28-21-3-1-2-19(13-21)26(8-4-22(14-26)33-9-5-17(6-10-33)24(35)36)25(37)34-11-7-23-18(16-34)12-20(15-32-23)27(29,30)31;1-4-26(25(37)34-12-8-22-19(16-34)13-20(15-31-22)27(28,29)30)9-5-21(14-26)33-10-6-18(7-11-33)23(35)32-17(2)24(36)38-3;25-24(26,27)16-10-15-14-30(9-5-20(15)28-13-16)22(33)23(19-11-18(19)21(31)32)6-4-17(12-23)29-7-2-1-3-8-29/h4-7,16,18,20,25H,3,8-15,17,19H2,1-2H3,(H,36,39);4-6,15-16,18,20,25H,3,7-14,17,19H2,1-2H3,(H,36,39);2-4,13-14,16,18,23H,5-12,15,17H2,1H3;13,15,18-20,23H,4-12,14,16-17H2,1-3H3,(H,35,36);1-3,12-13,15,17,22H,4-11,14,16H2,(H,35,36);13,15,17-18,21H,4-12,14,16H2,1-3H3,(H,32,35);10,13,17-19H,1-9,11-12,14H2,(H,31,32)/t2*25?,30-;;19?,20?,23?,27-;;17-,21?,26+;17-,18?,19+,23+/m00.0.11/s1.
What are the key properties of 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid?
1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid has a molecular weight of 3754.18 g/mol, XLogP of 31.50, 37 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylic acid;methyl 3-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl 4-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]benzoate;methyl (2R)-2-[[1-[(3S)-3-ethyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carbonyl]amino]propanoate;methyl 1-[3-(3-fluorophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;4-[3-methyl-1-[(3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]butanoic acid;(2S)-2-[(1S,3R)-3-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 161104072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).