5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid

C129H135N13O16S2 — CID 159032315

IUPAC5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2cccc(-n3cnc(C(=O)O)c3C)n2)c1.Cc1cccc(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-c3nc(C)c(C(=O)O)s3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-n3cnc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C33H34N2O4S.2C32H34N4O4.C32H33N3O4S/c1-21-5-3-6-27(29-7-4-8-30(34-29)28-20-40-32(22(28)2)33(36)37)31(21)39-19-23-9-10-25-18-35(14-11-24(25)17-23)26-12-15-38-16-13-26;1-21-5-3-6-27(28-7-4-8-29(34-28)36-20-33-30(22(36)2)32(37)38)31(21)40-19-23-9-10-25-18-35(14-11-24(25)17-23)26-12-15-39-16-13-26;1-21-6-9-29(27(16-21)28-4-3-5-30(34-28)36-20-33-31(22(36)2)32(37)38)40-19-23-7-8-25-18-35(13-10-24(25)17-23)26-11-14-39-15-12-26;1-20-5-3-6-26(27-7-4-8-28(34-27)31-33-21(2)30(40-31)32(36)37)29(20)39-19-22-9-10-24-18-35(14-11-23(24)17-22)25-12-15-38-16-13-25/h3-10,17,20,26H,11-16,18-19H2,1-2H3,(H,36,37);3-10,17,20,26H,11-16,18-19H2,1-2H3,(H,37,38);3-9,16-17,20,26H,10-15,18-19H2,1-2H3,(H,37,38);3-10,17,25H,11-16,18-19H2,1-2H3,(H,36,37)
InChIKeyJVAOBKIXHVPTRH-UHFFFAOYSA-N
MW2187.71 g/mol
LogP23.94
Rot. Bonds28

About 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid

5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid (PubChem CID 159032315) has the molecular formula C129H135N13O16S2 and a molecular weight of 2187.71 g/mol. Its IUPAC name is 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
PubChem CID159032315
Molecular FormulaC129H135N13O16S2
Molecular Weight2187.71 g/mol
Exact Mass2185.96
IUPAC Name5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2cccc(-n3cnc(C(=O)O)c3C)n2)c1.Cc1cccc(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-c3nc(C)c(C(=O)O)s3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-n3cnc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C33H34N2O4S.2C32H34N4O4.C32H33N3O4S/c1-21-5-3-6-27(29-7-4-8-30(34-29)28-20-40-32(22(28)2)33(36)37)31(21)39-19-23-9-10-25-18-35(14-11-24(25)17-23)26-12-15-38-16-13-26;1-21-5-3-6-27(28-7-4-8-29(34-28)36-20-33-30(22(36)2)32(37)38)31(21)40-19-23-9-10-25-18-35(14-11-24(25)17-23)26-12-15-39-16-13-26;1-21-6-9-29(27(16-21)28-4-3-5-30(34-28)36-20-33-31(22(36)2)32(37)38)40-19-23-7-8-25-18-35(13-10-24(25)17-23)26-11-14-39-15-12-26;1-20-5-3-6-26(27-7-4-8-28(34-27)31-33-21(2)30(40-31)32(36)37)29(20)39-19-22-9-10-24-18-35(14-11-23(24)17-22)25-12-15-38-16-13-25/h3-10,17,20,26H,11-16,18-19H2,1-2H3,(H,36,37);3-10,17,20,26H,11-16,18-19H2,1-2H3,(H,37,38);3-9,16-17,20,26H,10-15,18-19H2,1-2H3,(H,37,38);3-10,17,25H,11-16,18-19H2,1-2H3,(H,36,37)
InChIKeyJVAOBKIXHVPTRH-UHFFFAOYSA-N
XLogP23.94
TPSA336.09 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002187.71
LogP ≤ 523.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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
2-[6-[2-[(2-cycloheptyl-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-(oxan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-2-[6-[3-methyl-2-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid
CID 157082793
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
3-methyl-2-[6-[5-methyl-2-[[5-methyl-2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[3-methyl-2-[[5-methyl-2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[5-methyl-2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;5-methyl-1-[6-[3-methyl-2-[[5-methyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid
CID 160278000
5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
CID 161112097
2-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-3-methylimidazole-4-carboxylic acid;4-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-3-methylthiophene-2-carboxylic acid;1-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
CID 161375282

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid (CID 159032315) is 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid is Cc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2cccc(-n3cnc(C(=O)O)c3C)n2)c1.Cc1cccc(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-c3nc(C)c(C(=O)O)s3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-n3cnc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.
What is the InChIKey of 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?
The InChIKey is JVAOBKIXHVPTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4S.2C32H34N4O4.C32H33N3O4S/c1-21-5-3-6-27(29-7-4-8-30(34-29)28-20-40-32(22(28)2)33(36)37)31(21)39-19-23-9-10-25-18-35(14-11-24(25)17-23)26-12-15-38-16-13-26;1-21-5-3-6-27(28-7-4-8-29(34-28)36-20-33-30(22(36)2)32(37)38)31(21)40-19-23-9-10-25-18-35(14-11-24(25)17-23)26-12-15-39-16-13-26;1-21-6-9-29(27(16-21)28-4-3-5-30(34-28)36-20-33-31(22(36)2)32(37)38)40-19-23-7-8-25-18-35(13-10-24(25)17-23)26-11-14-39-15-12-26;1-20-5-3-6-26(27-7-4-8-28(34-27)31-33-21(2)30(40-31)32(36)37)29(20)39-19-22-9-10-24-18-35(14-11-23(24)17-22)25-12-15-38-16-13-25/h3-10,17,20,26H,11-16,18-19H2,1-2H3,(H,36,37);3-10,17,20,26H,11-16,18-19H2,1-2H3,(H,37,38);3-9,16-17,20,26H,10-15,18-19H2,1-2H3,(H,37,38);3-10,17,25H,11-16,18-19H2,1-2H3,(H,36,37).
What are the key properties of 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid?
5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid has a molecular weight of 2187.71 g/mol, XLogP of 23.94, 28 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;4-methyl-2-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid;3-methyl-4-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 159032315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).