[(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid

C185H260F21N21O20 — CID 159759452

IUPAC[(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCC(C(=O)O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCC(CCC(=O)O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCCC(C(=O)O)C2)C1.CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C1CCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CCOC(=O)C1CCCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CCOC(=O)CCC1CCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/C29H42F3N3O3.3C27H38F3N3O3.2C25H34F3N3O3.C25H36F3N3O2/c1-4-38-26(36)10-7-20-5-8-23(9-6-20)34-24-11-13-28(16-24,19(2)3)27(37)35-14-12-25-21(18-35)15-22(17-33-25)29(30,31)32;1-17(2)26(11-9-22(14-26)32-21-6-3-18(4-7-21)5-8-24(34)35)25(36)33-12-10-23-19(16-33)13-20(15-31-23)27(28,29)30;1-4-36-24(34)18-5-7-21(8-6-18)32-22-9-11-26(14-22,17(2)3)25(35)33-12-10-23-19(16-33)13-20(15-31-23)27(28,29)30;1-4-36-24(34)18-6-5-7-21(13-18)32-22-8-10-26(14-22,17(2)3)25(35)33-11-9-23-19(16-33)12-20(15-31-23)27(28,29)30;1-15(2)24(9-7-20(12-24)30-19-5-3-16(4-6-19)22(32)33)23(34)31-10-8-21-17(14-31)11-18(13-29-21)25(26,27)28;1-15(2)24(8-6-20(12-24)30-19-5-3-4-16(11-19)22(32)33)23(34)31-9-7-21-17(14-31)10-18(13-29-21)25(26,27)28;1-15(2)24(7-5-20(10-24)30-22-16(3)13-33-14-17(22)4)23(32)31-8-6-21-18(12-31)9-19(11-29-21)25(26,27)28/h15,17,19-20,23-24,34H,4-14,16,18H2,1-3H3;13,15,17-18,21-22,32H,3-12,14,16H2,1-2H3,(H,34,35);13,15,17-18,21-22,32H,4-12,14,16H2,1-3H3;12,15,17-18,21-22,32H,4-11,13-14,16H2,1-3H3;11,13,15-16,19-20,30H,3-10,12,14H2,1-2H3,(H,32,33);10,13,15-16,19-20,30H,3-9,11-12,14H2,1-2H3,(H,32,33);9,11,15-17,20,22,30H,5-8,10,12-14H2,1-4H3/t20?,23?,24-,28+;3*18?,21?,22-,26+;2*16?,19?,20-,24+;16?,17?,20-,22?,24+/m1111111/s1
InChIKeyNERMXWVPXJSVBA-QZZBCWIJSA-N
MW3497.20 g/mol
LogP33.91
Rot. Bonds41

About [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid

[(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid (PubChem CID 159759452) has the molecular formula C185H260F21N21O20 and a molecular weight of 3497.20 g/mol. Its IUPAC name is [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name[(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid
PubChem CID159759452
Molecular FormulaC185H260F21N21O20
Molecular Weight3497.20 g/mol
Exact Mass3494.96
IUPAC Name[(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCC(C(=O)O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCC(CCC(=O)O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCCC(C(=O)O)C2)C1.CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C1CCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CCOC(=O)C1CCCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CCOC(=O)CCC1CCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/C29H42F3N3O3.3C27H38F3N3O3.2C25H34F3N3O3.C25H36F3N3O2/c1-4-38-26(36)10-7-20-5-8-23(9-6-20)34-24-11-13-28(16-24,19(2)3)27(37)35-14-12-25-21(18-35)15-22(17-33-25)29(30,31)32;1-17(2)26(11-9-22(14-26)32-21-6-3-18(4-7-21)5-8-24(34)35)25(36)33-12-10-23-19(16-33)13-20(15-31-23)27(28,29)30;1-4-36-24(34)18-5-7-21(8-6-18)32-22-9-11-26(14-22,17(2)3)25(35)33-12-10-23-19(16-33)13-20(15-31-23)27(28,29)30;1-4-36-24(34)18-6-5-7-21(13-18)32-22-8-10-26(14-22,17(2)3)25(35)33-11-9-23-19(16-33)12-20(15-31-23)27(28,29)30;1-15(2)24(9-7-20(12-24)30-19-5-3-16(4-6-19)22(32)33)23(34)31-10-8-21-17(14-31)11-18(13-29-21)25(26,27)28;1-15(2)24(8-6-20(12-24)30-19-5-3-4-16(11-19)22(32)33)23(34)31-9-7-21-17(14-31)10-18(13-29-21)25(26,27)28;1-15(2)24(7-5-20(10-24)30-22-16(3)13-33-14-17(22)4)23(32)31-8-6-21-18(12-31)9-19(11-29-21)25(26,27)28/h15,17,19-20,23-24,34H,4-14,16,18H2,1-3H3;13,15,17-18,21-22,32H,3-12,14,16H2,1-2H3,(H,34,35);13,15,17-18,21-22,32H,4-12,14,16H2,1-3H3;12,15,17-18,21-22,32H,4-11,13-14,16H2,1-3H3;11,13,15-16,19-20,30H,3-10,12,14H2,1-2H3,(H,32,33);10,13,15-16,19-20,30H,3-9,11-12,14H2,1-2H3,(H,32,33);9,11,15-17,20,22,30H,5-8,10,12-14H2,1-4H3/t20?,23?,24-,28+;3*18?,21?,22-,26+;2*16?,19?,20-,24+;16?,17?,20-,22?,24+/m1111111/s1
InChIKeyNERMXWVPXJSVBA-QZZBCWIJSA-N
XLogP33.91
TPSA516.64 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003497.20
LogP ≤ 533.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid?
The IUPAC name of [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid (CID 159759452) is [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid.
What is the SMILES notation for [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid?
The canonical SMILES for [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid is CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCC(C(=O)O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCC(CCC(=O)O)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCCC(C(=O)O)C2)C1.CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C1CCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.CCOC(=O)C1CCCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)C1.CCOC(=O)CCC1CCC(N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.
What is the InChIKey of [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid?
The InChIKey is NERMXWVPXJSVBA-QZZBCWIJSA-N. The full InChI is InChI=1S/C29H42F3N3O3.3C27H38F3N3O3.2C25H34F3N3O3.C25H36F3N3O2/c1-4-38-26(36)10-7-20-5-8-23(9-6-20)34-24-11-13-28(16-24,19(2)3)27(37)35-14-12-25-21(18-35)15-22(17-33-25)29(30,31)32;1-17(2)26(11-9-22(14-26)32-21-6-3-18(4-7-21)5-8-24(34)35)25(36)33-12-10-23-19(16-33)13-20(15-31-23)27(28,29)30;1-4-36-24(34)18-5-7-21(8-6-18)32-22-9-11-26(14-22,17(2)3)25(35)33-12-10-23-19(16-33)13-20(15-31-23)27(28,29)30;1-4-36-24(34)18-6-5-7-21(13-18)32-22-8-10-26(14-22,17(2)3)25(35)33-11-9-23-19(16-33)12-20(15-31-23)27(28,29)30;1-15(2)24(9-7-20(12-24)30-19-5-3-16(4-6-19)22(32)33)23(34)31-10-8-21-17(14-31)11-18(13-29-21)25(26,27)28;1-15(2)24(8-6-20(12-24)30-19-5-3-4-16(11-19)22(32)33)23(34)31-9-7-21-17(14-31)10-18(13-29-21)25(26,27)28;1-15(2)24(7-5-20(10-24)30-22-16(3)13-33-14-17(22)4)23(32)31-8-6-21-18(12-31)9-19(11-29-21)25(26,27)28/h15,17,19-20,23-24,34H,4-14,16,18H2,1-3H3;13,15,17-18,21-22,32H,3-12,14,16H2,1-2H3,(H,34,35);13,15,17-18,21-22,32H,4-12,14,16H2,1-3H3;12,15,17-18,21-22,32H,4-11,13-14,16H2,1-3H3;11,13,15-16,19-20,30H,3-10,12,14H2,1-2H3,(H,32,33);10,13,15-16,19-20,30H,3-9,11-12,14H2,1-2H3,(H,32,33);9,11,15-17,20,22,30H,5-8,10,12-14H2,1-4H3/t20?,23?,24-,28+;3*18?,21?,22-,26+;2*16?,19?,20-,24+;16?,17?,20-,22?,24+/m1111111/s1.
What are the key properties of [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid?
[(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid has a molecular weight of 3497.20 g/mol, XLogP of 33.91, 41 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(3,5-dimethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylate;ethyl 3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexane-1-carboxylic acid;3-[4-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cyclohexyl]propanoic acid is sourced from PubChem (CID 159759452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).