5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

C172H210F12N22O18 — CID 159372514

IUPAC5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)c1ccc(N(CC(F)(F)F)c2ccc(C(=O)O)nc2)cc1OCC1CC1.CC(C)c1ccc(N(CC(F)(F)F)c2ncc(C(=O)O)cn2)cc1OCC1CC1.CC1(C)CCC(C)(C)c2cc(N(CC(F)(F)F)c3cnc(C(=O)O)cn3)ccc21.CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1.CCN(c1cnc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1N(CC(F)(F)F)c1cnc(C(=O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30N2O2.C22H26F3N3O2.2C22H29N3O2.C21H24F3N3O2.C21H23F3N2O3.C21H27N3O2.C20H22F3N3O3/c1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6;1-13-8-14-15(21(4,5)7-6-20(14,2)3)9-17(13)28(12-22(23,24)25)18-11-26-16(10-27-18)19(29)30;1-7-25(20-23-12-15(13-24-20)19(26)27)18-11-17-16(10-14(18)2)21(3,4)8-9-22(17,5)6;1-7-25(19-13-23-17(12-24-19)20(26)27)18-11-16-15(10-14(18)2)21(3,4)8-9-22(16,5)6;1-19(2)7-8-20(3,4)15-9-13(5-6-14(15)19)27(12-21(22,23)24)17-11-25-16(10-26-17)18(28)29;1-13(2)17-7-5-15(9-19(17)29-11-14-3-4-14)26(12-21(22,23)24)16-6-8-18(20(27)28)25-10-16;1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3;1-12(2)16-6-5-15(7-17(16)29-10-13-3-4-13)26(11-20(21,22)23)19-24-8-14(9-25-19)18(27)28/h8-9,12-14H,7,10-11H2,1-6H3,(H,26,27);8-11H,6-7,12H2,1-5H3,(H,29,30);2*10-13H,7-9H2,1-6H3,(H,26,27);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,28);7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);5-9,12-13H,3-4,10-11H2,1-2H3,(H,27,28)
InChIKeyLJXMDFIKSWMEIZ-UHFFFAOYSA-N
MW3101.68 g/mol
LogP41.19
Rot. Bonds40

About 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 159372514) has the molecular formula C172H210F12N22O18 and a molecular weight of 3101.68 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
PubChem CID159372514
Molecular FormulaC172H210F12N22O18
Molecular Weight3101.68 g/mol
Exact Mass3099.60
IUPAC Name5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)c1ccc(N(CC(F)(F)F)c2ccc(C(=O)O)nc2)cc1OCC1CC1.CC(C)c1ccc(N(CC(F)(F)F)c2ncc(C(=O)O)cn2)cc1OCC1CC1.CC1(C)CCC(C)(C)c2cc(N(CC(F)(F)F)c3cnc(C(=O)O)cn3)ccc21.CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1.CCN(c1cnc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1N(CC(F)(F)F)c1cnc(C(=O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30N2O2.C22H26F3N3O2.2C22H29N3O2.C21H24F3N3O2.C21H23F3N2O3.C21H27N3O2.C20H22F3N3O3/c1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6;1-13-8-14-15(21(4,5)7-6-20(14,2)3)9-17(13)28(12-22(23,24)25)18-11-26-16(10-27-18)19(29)30;1-7-25(20-23-12-15(13-24-20)19(26)27)18-11-17-16(10-14(18)2)21(3,4)8-9-22(17,5)6;1-7-25(19-13-23-17(12-24-19)20(26)27)18-11-16-15(10-14(18)2)21(3,4)8-9-22(16,5)6;1-19(2)7-8-20(3,4)15-9-13(5-6-14(15)19)27(12-21(22,23)24)17-11-25-16(10-26-17)18(28)29;1-13(2)17-7-5-15(9-19(17)29-11-14-3-4-14)26(12-21(22,23)24)16-6-8-18(20(27)28)25-10-16;1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3;1-12(2)16-6-5-15(7-17(16)29-10-13-3-4-13)26(11-20(21,22)23)19-24-8-14(9-25-19)18(27)28/h8-9,12-14H,7,10-11H2,1-6H3,(H,26,27);8-11H,6-7,12H2,1-5H3,(H,29,30);2*10-13H,7-9H2,1-6H3,(H,26,27);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,28);7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);5-9,12-13H,3-4,10-11H2,1-2H3,(H,27,28)
InChIKeyLJXMDFIKSWMEIZ-UHFFFAOYSA-N
XLogP41.19
TPSA523.24 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003101.68
LogP ≤ 541.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (CID 159372514) is 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is CC(C)c1ccc(N(CC(F)(F)F)c2ccc(C(=O)O)nc2)cc1OCC1CC1.CC(C)c1ccc(N(CC(F)(F)F)c2ncc(C(=O)O)cn2)cc1OCC1CC1.CC1(C)CCC(C)(C)c2cc(N(CC(F)(F)F)c3cnc(C(=O)O)cn3)ccc21.CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1.CCN(c1cnc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1N(CC(F)(F)F)c1cnc(C(=O)O)cn1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is LJXMDFIKSWMEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.C22H26F3N3O2.2C22H29N3O2.C21H24F3N3O2.C21H23F3N2O3.C21H27N3O2.C20H22F3N3O3/c1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6;1-13-8-14-15(21(4,5)7-6-20(14,2)3)9-17(13)28(12-22(23,24)25)18-11-26-16(10-27-18)19(29)30;1-7-25(20-23-12-15(13-24-20)19(26)27)18-11-17-16(10-14(18)2)21(3,4)8-9-22(17,5)6;1-7-25(19-13-23-17(12-24-19)20(26)27)18-11-16-15(10-14(18)2)21(3,4)8-9-22(16,5)6;1-19(2)7-8-20(3,4)15-9-13(5-6-14(15)19)27(12-21(22,23)24)17-11-25-16(10-26-17)18(28)29;1-13(2)17-7-5-15(9-19(17)29-11-14-3-4-14)26(12-21(22,23)24)16-6-8-18(20(27)28)25-10-16;1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3;1-12(2)16-6-5-15(7-17(16)29-10-13-3-4-13)26(11-20(21,22)23)19-24-8-14(9-25-19)18(27)28/h8-9,12-14H,7,10-11H2,1-6H3,(H,26,27);8-11H,6-7,12H2,1-5H3,(H,29,30);2*10-13H,7-9H2,1-6H3,(H,26,27);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,28);7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);5-9,12-13H,3-4,10-11H2,1-2H3,(H,27,28).
What are the key properties of 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 3101.68 g/mol, XLogP of 41.19, 40 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 159372514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).