2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid

C130H132N20O13S2 — CID 159394237

About 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid

2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid (PubChem CID 159394237) has the molecular formula C130H132N20O13S2 and a molecular weight of 2246.75 g/mol. Its IUPAC name is 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid
• PubChem CID: 159394237
• Molecular Formula: C130H132N20O13S2
• Molecular Weight: 2246.75 g/mol
• Exact Mass: 2244.97
• IUPAC Name: 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid
• SMILES: CCn1cc(CN2CCc3cc(COc4c(C)cccc4-c4cccc(-c5ncc(C(=O)O)n5C)n4)ccc3C2)cn1.Cc1cccc(-c2cccc(-c3ncc(C(=O)O)n3C)n2)c1OCc1ccc2c(c1)CCN(CC1CCOCC1)C2.Cc1csc(CN2CCc3cc(COc4c(C)cccc4-c4cccc(-c5ncc(C(=O)O)n5C)n4)ccc3C2)n1.Cc1ncc(CN2CCc3cc(COc4c(C)cccc4-c4cccc(-c5ncc(C(=O)O)n5C)n4)ccc3C2)s1
• InChI: InChI=1S/C33H34N6O3.C33H36N4O4.2C32H31N5O3S/c1-4-39-19-24(16-35-39)18-38-14-13-25-15-23(11-12-26(25)20-38)21-42-31-22(2)7-5-8-27(31)28-9-6-10-29(36-28)32-34-17-30(33(40)41)37(32)3;1-22-5-3-6-27(28-7-4-8-29(35-28)32-34-18-30(33(38)39)36(32)2)31(22)41-21-24-9-10-26-20-37(14-11-25(26)17-24)19-23-12-15-40-16-13-23;1-20-6-4-7-26(27-8-5-9-28(35-27)31-34-16-29(32(38)39)36(31)3)30(20)40-19-22-10-11-24-17-37(13-12-23(24)14-22)18-25-15-33-21(2)41-25;1-20-6-4-7-25(26-8-5-9-27(35-26)31-33-15-28(32(38)39)36(31)3)30(20)40-18-22-10-11-24-16-37(13-12-23(24)14-22)17-29-34-21(2)19-41-29/h5-12,15-17,19H,4,13-14,18,20-21H2,1-3H3,(H,40,41);3-10,17-18,23H,11-16,19-21H2,1-2H3,(H,38,39);4-11,14-16H,12-13,17-19H2,1-3H3,(H,38,39);4-11,14-15,19H,12-13,16-18H2,1-3H3,(H,38,39)
• InChIKey: LMMXHVSLQPWVAU-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 374.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2246.75
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid (CID 159394237) is 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid.

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

The canonical SMILES for 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid is CCn1cc(CN2CCc3cc(COc4c(C)cccc4-c4cccc(-c5ncc(C(=O)O)n5C)n4)ccc3C2)cn1.Cc1cccc(-c2cccc(-c3ncc(C(=O)O)n3C)n2)c1OCc1ccc2c(c1)CCN(CC1CCOCC1)C2.Cc1csc(CN2CCc3cc(COc4c(C)cccc4-c4cccc(-c5ncc(C(=O)O)n5C)n4)ccc3C2)n1.Cc1ncc(CN2CCc3cc(COc4c(C)cccc4-c4cccc(-c5ncc(C(=O)O)n5C)n4)ccc3C2)s1.

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

The InChIKey is LMMXHVSLQPWVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3.C33H36N4O4.2C32H31N5O3S/c1-4-39-19-24(16-35-39)18-38-14-13-25-15-23(11-12-26(25)20-38)21-42-31-22(2)7-5-8-27(31)28-9-6-10-29(36-28)32-34-17-30(33(40)41)37(32)3;1-22-5-3-6-27(28-7-4-8-29(35-28)32-34-18-30(33(38)39)36(32)2)31(22)41-21-24-9-10-26-20-37(14-11-25(26)17-24)19-23-12-15-40-16-13-23;1-20-6-4-7-26(27-8-5-9-28(35-27)31-34-16-29(32(38)39)36(31)3)30(20)40-19-22-10-11-24-17-37(13-12-23(24)14-22)18-25-15-33-21(2)41-25;1-20-6-4-7-25(26-8-5-9-27(35-26)31-33-15-28(32(38)39)36(31)3)30(20)40-18-22-10-11-24-16-37(13-12-23(24)14-22)17-29-34-21(2)19-41-29/h5-12,15-17,19H,4,13-14,18,20-21H2,1-3H3,(H,40,41);3-10,17-18,23H,11-16,19-21H2,1-2H3,(H,38,39);4-11,14-16H,12-13,17-19H2,1-3H3,(H,38,39);4-11,14-15,19H,12-13,16-18H2,1-3H3,(H,38,39).

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

2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid has a molecular weight of 2246.75 g/mol, XLogP of 23.14, 33 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[[2-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 159394237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).