2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid

C122H115F6N13O13S3 — CID 162084869

About 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid

2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid (PubChem CID 162084869) has the molecular formula C122H115F6N13O13S3 and a molecular weight of 2181.53 g/mol. Its IUPAC name is 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
• PubChem CID: 162084869
• Molecular Formula: C122H115F6N13O13S3
• Molecular Weight: 2181.53 g/mol
• Exact Mass: 2179.78
• IUPAC Name: 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
• SMILES: Cc1ccc(OCc2ccc3c(c2)CCN(C)C3)c(-c2cccc(-c3ncc(C(=O)O)n3C(F)(F)F)n2)c1.Cc1ccc(OCc2ccc3c(c2)CCN(CC2CCOC2)C3)c(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1.Cc1ccc(OCc2ccc3c(c2)CCN(Cc2nc(C)cs2)C3)c(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1.Cc1ccc(OCc2ccc3c(c2)CN(C)CC3)c(-c2cccc(-c3ncc(C(=O)O)n3C(F)(F)F)n2)c1
• InChI: InChI=1S/C33H31N3O3S2.C33H34N2O4S.2C28H25F3N4O3/c1-20-7-10-30(26(13-20)28-5-4-6-29(35-28)27-19-41-32(22(27)3)33(37)38)39-17-23-8-9-25-15-36(12-11-24(25)14-23)16-31-34-21(2)18-40-31;1-21-6-9-31(27(14-21)29-4-3-5-30(34-29)28-20-40-32(22(28)2)33(36)37)39-19-23-7-8-26-17-35(12-10-25(26)15-23)16-24-11-13-38-18-24;1-17-6-9-25(38-16-18-7-8-20-15-34(2)11-10-19(20)13-18)21(12-17)22-4-3-5-23(33-22)26-32-14-24(27(36)37)35(26)28(29,30)31;1-17-6-9-25(38-16-18-7-8-19-10-11-34(2)15-20(19)13-18)21(12-17)22-4-3-5-23(33-22)26-32-14-24(27(36)37)35(26)28(29,30)31/h4-10,13-14,18-19H,11-12,15-17H2,1-3H3,(H,37,38);3-9,14-15,20,24H,10-13,16-19H2,1-2H3,(H,36,37);2*3-9,12-14H,10-11,15-16H2,1-2H3,(H,36,37)
• InChIKey: ZCVDDKXMKMOFAP-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 308.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.53
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?

The IUPAC name of 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid (CID 162084869) is 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid.

What is the SMILES notation for 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?

The canonical SMILES for 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid is Cc1ccc(OCc2ccc3c(c2)CCN(C)C3)c(-c2cccc(-c3ncc(C(=O)O)n3C(F)(F)F)n2)c1.Cc1ccc(OCc2ccc3c(c2)CCN(CC2CCOC2)C3)c(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1.Cc1ccc(OCc2ccc3c(c2)CCN(Cc2nc(C)cs2)C3)c(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1.Cc1ccc(OCc2ccc3c(c2)CN(C)CC3)c(-c2cccc(-c3ncc(C(=O)O)n3C(F)(F)F)n2)c1.

What is the InChIKey of 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?

The InChIKey is ZCVDDKXMKMOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O3S2.C33H34N2O4S.2C28H25F3N4O3/c1-20-7-10-30(26(13-20)28-5-4-6-29(35-28)27-19-41-32(22(27)3)33(37)38)39-17-23-8-9-25-15-36(12-11-24(25)14-23)16-31-34-21(2)18-40-31;1-21-6-9-31(27(14-21)29-4-3-5-30(34-29)28-20-40-32(22(28)2)33(36)37)39-19-23-7-8-26-17-35(12-10-25(26)15-23)16-24-11-13-38-18-24;1-17-6-9-25(38-16-18-7-8-20-15-34(2)11-10-19(20)13-18)21(12-17)22-4-3-5-23(33-22)26-32-14-24(27(36)37)35(26)28(29,30)31;1-17-6-9-25(38-16-18-7-8-19-10-11-34(2)15-20(19)13-18)21(12-17)22-4-3-5-23(33-22)26-32-14-24(27(36)37)35(26)28(29,30)31/h4-10,13-14,18-19H,11-12,15-17H2,1-3H3,(H,37,38);3-9,14-15,20,24H,10-13,16-19H2,1-2H3,(H,36,37);2*3-9,12-14H,10-11,15-16H2,1-2H3,(H,36,37).

What are the key properties of 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?

2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid has a molecular weight of 2181.53 g/mol, XLogP of 25.78, 28 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 162084869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).