5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid

C130H142N16O15 — CID 157154718

About 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid

5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid (PubChem CID 157154718) has the molecular formula C130H142N16O15 and a molecular weight of 2168.66 g/mol. Its IUPAC name is 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
• PubChem CID: 157154718
• Molecular Formula: C130H142N16O15
• Molecular Weight: 2168.66 g/mol
• Exact Mass: 2167.08
• IUPAC Name: 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
• SMILES: Cc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1.Cc1ccc(OCc2ccc3c(c2C)CCN(C)C3)c(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1.Cc1ccc(OCc2ccc3c(c2C)CCN(C2CCOCC2)C3)c(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2
• InChI: InChI=1S/C34H38N4O4.2C33H36N4O4.C30H32N4O3/c1-21-8-11-31(28(18-21)29-6-5-7-30(35-29)33-23(3)32(34(39)40)36-37(33)4)42-20-25-10-9-24-19-38(15-12-27(24)22(25)2)26-13-16-41-17-14-26;1-21-6-4-7-27(28-8-5-9-29(34-28)31-22(2)30(33(38)39)35-36(31)3)32(21)41-20-23-10-11-25-19-37(15-12-24(25)18-23)26-13-16-40-17-14-26;1-21-7-10-30(27(17-21)28-5-4-6-29(34-28)32-22(2)31(33(38)39)35-36(32)3)41-20-23-8-9-25-19-37(14-11-24(25)18-23)26-12-15-40-16-13-26;1-18-9-12-27(37-17-22-11-10-21-16-33(4)14-13-23(21)19(22)2)24(15-18)25-7-6-8-26(31-25)29-20(3)28(30(35)36)32-34(29)5/h5-11,18,26H,12-17,19-20H2,1-4H3,(H,39,40);4-11,18,26H,12-17,19-20H2,1-3H3,(H,38,39);4-10,17-18,26H,11-16,19-20H2,1-3H3,(H,38,39);6-12,15H,13-14,16-17H2,1-5H3,(H,35,36)
• InChIKey: ALRDLQBEXORTJF-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 349.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2168.66
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid (CID 157154718) is 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid.

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

The canonical SMILES for 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid is Cc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1.Cc1ccc(OCc2ccc3c(c2C)CCN(C)C3)c(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1.Cc1ccc(OCc2ccc3c(c2C)CCN(C2CCOCC2)C3)c(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.

What is the InChIKey of 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid?

The InChIKey is ALRDLQBEXORTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O4.2C33H36N4O4.C30H32N4O3/c1-21-8-11-31(28(18-21)29-6-5-7-30(35-29)33-23(3)32(34(39)40)36-37(33)4)42-20-25-10-9-24-19-38(15-12-27(24)22(25)2)26-13-16-41-17-14-26;1-21-6-4-7-27(28-8-5-9-29(34-28)31-22(2)30(33(38)39)35-36(31)3)32(21)41-20-23-10-11-25-19-37(15-12-24(25)18-23)26-13-16-40-17-14-26;1-21-7-10-30(27(17-21)28-5-4-6-29(34-28)32-22(2)31(33(38)39)35-36(32)3)41-20-23-8-9-25-19-37(14-11-24(25)18-23)26-12-15-40-16-13-26;1-18-9-12-27(37-17-22-11-10-21-16-33(4)14-13-23(21)19(22)2)24(15-18)25-7-6-8-26(31-25)29-20(3)28(30(35)36)32-34(29)5/h5-11,18,26H,12-17,19-20H2,1-4H3,(H,39,40);4-11,18,26H,12-17,19-20H2,1-3H3,(H,38,39);4-10,17-18,26H,11-16,19-20H2,1-3H3,(H,38,39);6-12,15H,13-14,16-17H2,1-5H3,(H,35,36).

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

5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid has a molecular weight of 2168.66 g/mol, XLogP of 22.39, 27 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 157154718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).