ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one

C242H312F27N29O20 — CID 158102734

IUPACethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCC(CC(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCCC(CC(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)c3ccccc3)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC3(CCNC3=O)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCN(C(=O)c3ccccc3)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCN(c3ccccc3)CC2)C1.CCOC(=O)N1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.Cc1ccccc1N1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/C30H36F3N3O2.C29H35F3N4O2.C29H37F3N4O.C28H35F3N4O.C26H35F3N4O2.C26H35F3N2O3.C25H35F3N4O3.C25H33F3N2O3.C24H31F3N2O3/c1-20(2)29(28(38)36-15-11-26-23(19-36)16-24(18-34-26)30(31,32)33)12-8-25(17-29)35-13-9-22(10-14-35)27(37)21-6-4-3-5-7-21;1-20(2)28(27(38)36-11-9-25-22(19-36)16-23(18-33-25)29(30,31)32)10-8-24(17-28)34-12-14-35(15-13-34)26(37)21-6-4-3-5-7-21;1-20(2)28(27(37)36-11-9-25-22(19-36)16-23(18-33-25)29(30,31)32)10-8-24(17-28)34-12-14-35(15-13-34)26-7-5-4-6-21(26)3;1-20(2)27(26(36)35-11-9-25-21(19-35)16-22(18-32-25)28(29,30)31)10-8-24(17-27)34-14-12-33(13-15-34)23-6-4-3-5-7-23;1-17(2)25(5-3-20(14-25)32-11-7-24(8-12-32)6-9-30-22(24)34)23(35)33-10-4-21-18(16-33)13-19(15-31-21)26(27,28)29;1-17(2)25(9-7-22(14-25)30-10-3-4-18(15-30)12-23(32)33)24(34)31-11-8-19-5-6-21(26(27,28)29)13-20(19)16-31;1-4-35-23(34)31-11-9-30(10-12-31)20-5-7-24(14-20,17(2)3)22(33)32-8-6-21-18(16-32)13-19(15-29-21)25(26,27)28;1-16(2)24(8-5-21(13-24)29-9-6-17(14-29)11-22(31)32)23(33)30-10-7-18-3-4-20(25(26,27)28)12-19(18)15-30;1-15(2)23(8-5-20(12-23)28-9-7-17(13-28)21(30)31)22(32)29-10-6-16-3-4-19(24(25,26)27)11-18(16)14-29/h3-7,16,18,20,22,25H,8-15,17,19H2,1-2H3;3-7,16,18,20,24H,8-15,17,19H2,1-2H3;4-7,16,18,20,24H,8-15,17,19H2,1-3H3;3-7,16,18,20,24H,8-15,17,19H2,1-2H3;13,15,17,20H,3-12,14,16H2,1-2H3,(H,30,34);5-6,13,17-18,22H,3-4,7-12,14-16H2,1-2H3,(H,32,33);13,15,17,20H,4-12,14,16H2,1-3H3;3-4,12,16-17,21H,5-11,13-15H2,1-2H3,(H,31,32);3-4,11,15,17,20H,5-10,12-14H2,1-2H3,(H,30,31)
InChIKeyFPLSRNPXJRLBBD-UHFFFAOYSA-N
MW4460.29 g/mol
LogP42.21
Rot. Bonds38

About ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one

ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 158102734) has the molecular formula C242H312F27N29O20 and a molecular weight of 4460.29 g/mol. Its IUPAC name is ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Nameethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID158102734
Molecular FormulaC242H312F27N29O20
Molecular Weight4460.29 g/mol
Exact Mass4457.39
IUPAC Nameethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCC(CC(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCCC(CC(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)c3ccccc3)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC3(CCNC3=O)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCN(C(=O)c3ccccc3)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCN(c3ccccc3)CC2)C1.CCOC(=O)N1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.Cc1ccccc1N1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/C30H36F3N3O2.C29H35F3N4O2.C29H37F3N4O.C28H35F3N4O.C26H35F3N4O2.C26H35F3N2O3.C25H35F3N4O3.C25H33F3N2O3.C24H31F3N2O3/c1-20(2)29(28(38)36-15-11-26-23(19-36)16-24(18-34-26)30(31,32)33)12-8-25(17-29)35-13-9-22(10-14-35)27(37)21-6-4-3-5-7-21;1-20(2)28(27(38)36-11-9-25-22(19-36)16-23(18-33-25)29(30,31)32)10-8-24(17-28)34-12-14-35(15-13-34)26(37)21-6-4-3-5-7-21;1-20(2)28(27(37)36-11-9-25-22(19-36)16-23(18-33-25)29(30,31)32)10-8-24(17-28)34-12-14-35(15-13-34)26-7-5-4-6-21(26)3;1-20(2)27(26(36)35-11-9-25-21(19-35)16-22(18-32-25)28(29,30)31)10-8-24(17-27)34-14-12-33(13-15-34)23-6-4-3-5-7-23;1-17(2)25(5-3-20(14-25)32-11-7-24(8-12-32)6-9-30-22(24)34)23(35)33-10-4-21-18(16-33)13-19(15-31-21)26(27,28)29;1-17(2)25(9-7-22(14-25)30-10-3-4-18(15-30)12-23(32)33)24(34)31-11-8-19-5-6-21(26(27,28)29)13-20(19)16-31;1-4-35-23(34)31-11-9-30(10-12-31)20-5-7-24(14-20,17(2)3)22(33)32-8-6-21-18(16-32)13-19(15-29-21)25(26,27)28;1-16(2)24(8-5-21(13-24)29-9-6-17(14-29)11-22(31)32)23(33)30-10-7-18-3-4-20(25(26,27)28)12-19(18)15-30;1-15(2)23(8-5-20(12-23)28-9-7-17(13-28)21(30)31)22(32)29-10-6-16-3-4-19(24(25,26)27)11-18(16)14-29/h3-7,16,18,20,22,25H,8-15,17,19H2,1-2H3;3-7,16,18,20,24H,8-15,17,19H2,1-2H3;4-7,16,18,20,24H,8-15,17,19H2,1-3H3;3-7,16,18,20,24H,8-15,17,19H2,1-2H3;13,15,17,20H,3-12,14,16H2,1-2H3,(H,30,34);5-6,13,17-18,22H,3-4,7-12,14-16H2,1-2H3,(H,32,33);13,15,17,20H,4-12,14,16H2,1-3H3;3-4,12,16-17,21H,5-11,13-15H2,1-2H3,(H,31,32);3-4,11,15,17,20H,5-10,12-14H2,1-2H3,(H,30,31)
InChIKeyFPLSRNPXJRLBBD-UHFFFAOYSA-N
XLogP42.21
TPSA503.69 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004460.29
LogP ≤ 542.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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What is the IUPAC name of ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one (CID 158102734) is ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one is CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCC(CC(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N2CCCC(CC(=O)O)C2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC(C(=O)c3ccccc3)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCC3(CCNC3=O)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCN(C(=O)c3ccccc3)CC2)C1.CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCN(c3ccccc3)CC2)C1.CCOC(=O)N1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.Cc1ccccc1N1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.
What is the InChIKey of ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is FPLSRNPXJRLBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3O2.C29H35F3N4O2.C29H37F3N4O.C28H35F3N4O.C26H35F3N4O2.C26H35F3N2O3.C25H35F3N4O3.C25H33F3N2O3.C24H31F3N2O3/c1-20(2)29(28(38)36-15-11-26-23(19-36)16-24(18-34-26)30(31,32)33)12-8-25(17-29)35-13-9-22(10-14-35)27(37)21-6-4-3-5-7-21;1-20(2)28(27(38)36-11-9-25-22(19-36)16-23(18-33-25)29(30,31)32)10-8-24(17-28)34-12-14-35(15-13-34)26(37)21-6-4-3-5-7-21;1-20(2)28(27(37)36-11-9-25-22(19-36)16-23(18-33-25)29(30,31)32)10-8-24(17-28)34-12-14-35(15-13-34)26-7-5-4-6-21(26)3;1-20(2)27(26(36)35-11-9-25-21(19-35)16-22(18-32-25)28(29,30)31)10-8-24(17-27)34-14-12-33(13-15-34)23-6-4-3-5-7-23;1-17(2)25(5-3-20(14-25)32-11-7-24(8-12-32)6-9-30-22(24)34)23(35)33-10-4-21-18(16-33)13-19(15-31-21)26(27,28)29;1-17(2)25(9-7-22(14-25)30-10-3-4-18(15-30)12-23(32)33)24(34)31-11-8-19-5-6-21(26(27,28)29)13-20(19)16-31;1-4-35-23(34)31-11-9-30(10-12-31)20-5-7-24(14-20,17(2)3)22(33)32-8-6-21-18(16-32)13-19(15-29-21)25(26,27)28;1-16(2)24(8-5-21(13-24)29-9-6-17(14-29)11-22(31)32)23(33)30-10-7-18-3-4-20(25(26,27)28)12-19(18)15-30;1-15(2)23(8-5-20(12-23)28-9-7-17(13-28)21(30)31)22(32)29-10-6-16-3-4-19(24(25,26)27)11-18(16)14-29/h3-7,16,18,20,22,25H,8-15,17,19H2,1-2H3;3-7,16,18,20,24H,8-15,17,19H2,1-2H3;4-7,16,18,20,24H,8-15,17,19H2,1-3H3;3-7,16,18,20,24H,8-15,17,19H2,1-2H3;13,15,17,20H,3-12,14,16H2,1-2H3,(H,30,34);5-6,13,17-18,22H,3-4,7-12,14-16H2,1-2H3,(H,32,33);13,15,17,20H,4-12,14,16H2,1-3H3;3-4,12,16-17,21H,5-11,13-15H2,1-2H3,(H,31,32);3-4,11,15,17,20H,5-10,12-14H2,1-2H3,(H,30,31).
What are the key properties of ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one?
ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 4460.29 g/mol, XLogP of 42.21, 38 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazine-1-carboxylate;[3-[4-(2-methylphenyl)piperazin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[3-(4-phenylpiperazin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;phenyl-[4-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperazin-1-yl]methanone;phenyl-[1-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]methanone;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-3-yl]acetic acid;1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidine-3-carboxylic acid;2-[1-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]pyrrolidin-3-yl]acetic acid;8-[3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 158102734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).