1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline

C102H113N11O15 — CID 161340045

IUPAC1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCCn1nc(C(=O)O)c(C)c1C.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3CCC(=O)O)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-c3onc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2ccccn2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C35H38N4O6.C32H33N3O5.C27H30N2O2.C8H12N2O2/c1-22-5-3-6-28(29-7-4-8-30(36-29)33-23(2)32(35(42)43)37-39(33)16-12-31(40)41)34(22)45-21-24-9-10-26-20-38(15-11-25(26)19-24)27-13-17-44-18-14-27;1-20-5-3-6-26(27-7-4-8-28(33-27)31-21(2)29(32(36)37)34-40-31)30(20)39-19-22-9-10-24-18-35(14-11-23(24)17-22)25-12-15-38-16-13-25;1-20-5-4-6-25(26-7-2-3-13-28-26)27(20)31-19-21-8-9-23-18-29(14-10-22(23)17-21)24-11-15-30-16-12-24;1-4-10-6(3)5(2)7(9-10)8(11)12/h3-10,19,27H,11-18,20-21H2,1-2H3,(H,40,41)(H,42,43);3-10,17,25H,11-16,18-19H2,1-2H3,(H,36,37);2-9,13,17,24H,10-12,14-16,18-19H2,1H3;4H2,1-3H3,(H,11,12)
InChIKeyVMNUVJCSJHRPRF-UHFFFAOYSA-N
MW1733.09 g/mol
LogP17.74
Rot. Bonds24

About 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline

1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 161340045) has the molecular formula C102H113N11O15 and a molecular weight of 1733.09 g/mol. Its IUPAC name is 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID161340045
Molecular FormulaC102H113N11O15
Molecular Weight1733.09 g/mol
Exact Mass1731.84
IUPAC Name1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCCn1nc(C(=O)O)c(C)c1C.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3CCC(=O)O)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-c3onc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2ccccn2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C35H38N4O6.C32H33N3O5.C27H30N2O2.C8H12N2O2/c1-22-5-3-6-28(29-7-4-8-30(36-29)33-23(2)32(35(42)43)37-39(33)16-12-31(40)41)34(22)45-21-24-9-10-26-20-38(15-11-25(26)19-24)27-13-17-44-18-14-27;1-20-5-3-6-26(27-7-4-8-28(33-27)31-21(2)29(32(36)37)34-40-31)30(20)39-19-22-9-10-24-18-35(14-11-23(24)17-22)25-12-15-38-16-13-25;1-20-5-4-6-25(26-7-2-3-13-28-26)27(20)31-19-21-8-9-23-18-29(14-10-22(23)17-21)24-11-15-30-16-12-24;1-4-10-6(3)5(2)7(9-10)8(11)12/h3-10,19,27H,11-18,20-21H2,1-2H3,(H,40,41)(H,42,43);3-10,17,25H,11-16,18-19H2,1-2H3,(H,36,37);2-9,13,17,24H,10-12,14-16,18-19H2,1H3;4H2,1-3H3,(H,11,12)
InChIKeyVMNUVJCSJHRPRF-UHFFFAOYSA-N
XLogP17.74
TPSA314.64 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.09
LogP ≤ 517.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;1-methyl-5-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(1-phenylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 160034205
1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 161177425
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
N-butoxy-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide;N-[(2-fluoro-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[1'-[(3-methyloxetan-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxamide;N-[(1-methylpyrazol-4-yl)methyl]-6-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)pyridine-3-carboxamide;N-[(5-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide
CID 158260688
(3S,4R)-4-azido-1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-3-ol;(3R,4R)-4-azido-1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-3-ol;[(3S,4R)-4-azido-1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-3-yl] 4-nitrobenzoate
CID 158674603
3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
CID 159854469
N-methyl-5-[2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
CID 161563907
4-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-5-pyridin-2-ylpyrazole-3-carbaldehyde;2-[4-(3,4-dihydro-2H-chromen-6-yl)-1-methyl-3-pyridin-2-ylpyrazol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(3,4-dihydro-2H-chromen-6-yl)-1-methyl-3-pyridin-2-ylpyrazol-5-yl]-2-hydroxyacetate;methyl 2-[4-(3,4-dihydro-2H-chromen-6-yl)-1-methyl-3-pyridin-2-ylpyrazol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 161586276
1-tert-butyl-4-methyl-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-ethyl-4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 162130571
2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
CID 164974583
8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
CID 165056760

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline (CID 161340045) is 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline is CCn1nc(C(=O)O)c(C)c1C.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3CCC(=O)O)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2cccc(-c3onc(C(=O)O)c3C)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.Cc1cccc(-c2ccccn2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.
What is the InChIKey of 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is VMNUVJCSJHRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O6.C32H33N3O5.C27H30N2O2.C8H12N2O2/c1-22-5-3-6-28(29-7-4-8-30(36-29)33-23(2)32(35(42)43)37-39(33)16-12-31(40)41)34(22)45-21-24-9-10-26-20-38(15-11-25(26)19-24)27-13-17-44-18-14-27;1-20-5-3-6-26(27-7-4-8-28(33-27)31-21(2)29(32(36)37)34-40-31)30(20)39-19-22-9-10-24-18-35(14-11-23(24)17-22)25-12-15-38-16-13-25;1-20-5-4-6-25(26-7-2-3-13-28-26)27(20)31-19-21-8-9-23-18-29(14-10-22(23)17-21)24-11-15-30-16-12-24;1-4-10-6(3)5(2)7(9-10)8(11)12/h3-10,19,27H,11-18,20-21H2,1-2H3,(H,40,41)(H,42,43);3-10,17,25H,11-16,18-19H2,1-2H3,(H,36,37);2-9,13,17,24H,10-12,14-16,18-19H2,1H3;4H2,1-3H3,(H,11,12).
What are the key properties of 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline?
1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 1733.09 g/mol, XLogP of 17.74, 24 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyethyl)-4-methyl-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-ethyl-4,5-dimethylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1,2-oxazole-3-carboxylic acid;6-[(2-methyl-6-pyridin-2-ylphenoxy)methyl]-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 161340045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).