2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid

C134H158F5N11O24 — CID 157310727

IUPAC2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)c2nc(CCCc3ccc4c(n3)CCCC4)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCC(C)=O)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCC3(C)OCCO3)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCc3ccc4c(n3)CCCC4)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCc3ccc4cccnc4n3)co2)cc1F.Nc1ncccc1C=O
InChIInChI=1S/C29H35FN2O4.C28H30FN3O4.C25H27FN2O4.C24H32FNO6.C22H28FNO5.C6H6N2O/c1-29(2,3)36-27(33)17-23(20-13-15-26(34-4)24(30)16-20)28-32-22(18-35-28)10-7-9-21-14-12-19-8-5-6-11-25(19)31-21;1-28(2,3)36-25(33)16-22(19-11-13-24(34-4)23(29)15-19)27-32-21(17-35-27)9-5-8-20-12-10-18-7-6-14-30-26(18)31-20;1-31-23-12-10-17(13-21(23)26)20(14-24(29)30)25-28-19(15-32-25)7-4-6-18-11-9-16-5-2-3-8-22(16)27-18;1-23(2,3)32-21(27)14-18(16-8-9-20(28-5)19(25)13-16)22-26-17(15-29-22)7-6-10-24(4)30-11-12-31-24;1-14(25)7-6-8-16-13-28-21(24-16)17(12-20(26)29-22(2,3)4)15-9-10-19(27-5)18(23)11-15;7-6-5(4-9)2-1-3-8-6/h12-16,18,23H,5-11,17H2,1-4H3;6-7,10-15,17,22H,5,8-9,16H2,1-4H3;9-13,15,20H,2-8,14H2,1H3,(H,29,30);8-9,13,15,18H,6-7,10-12,14H2,1-5H3;9-11,13,17H,6-8,12H2,1-5H3;1-4H,(H2,7,8)
InChIKeyBCZXQBZHQPYZPQ-UHFFFAOYSA-N
MW2401.78 g/mol
LogP26.66
Rot. Bonds46

About 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid

2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid (PubChem CID 157310727) has the molecular formula C134H158F5N11O24 and a molecular weight of 2401.78 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid
PubChem CID157310727
Molecular FormulaC134H158F5N11O24
Molecular Weight2401.78 g/mol
Exact Mass2400.14
IUPAC Name2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)c2nc(CCCc3ccc4c(n3)CCCC4)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCC(C)=O)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCC3(C)OCCO3)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCc3ccc4c(n3)CCCC4)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCc3ccc4cccnc4n3)co2)cc1F.Nc1ncccc1C=O
InChIInChI=1S/C29H35FN2O4.C28H30FN3O4.C25H27FN2O4.C24H32FNO6.C22H28FNO5.C6H6N2O/c1-29(2,3)36-27(33)17-23(20-13-15-26(34-4)24(30)16-20)28-32-22(18-35-28)10-7-9-21-14-12-19-8-5-6-11-25(19)31-21;1-28(2,3)36-25(33)16-22(19-11-13-24(34-4)23(29)15-19)27-32-21(17-35-27)9-5-8-20-12-10-18-7-6-14-30-26(18)31-20;1-31-23-12-10-17(13-21(23)26)20(14-24(29)30)25-28-19(15-32-25)7-4-6-18-11-9-16-5-2-3-8-22(16)27-18;1-23(2,3)32-21(27)14-18(16-8-9-20(28-5)19(25)13-16)22-26-17(15-29-22)7-6-10-24(4)30-11-12-31-24;1-14(25)7-6-8-16-13-28-21(24-16)17(12-20(26)29-22(2,3)4)15-9-10-19(27-5)18(23)11-15;7-6-5(4-9)2-1-3-8-6/h12-16,18,23H,5-11,17H2,1-4H3;6-7,10-15,17,22H,5,8-9,16H2,1-4H3;9-13,15,20H,2-8,14H2,1H3,(H,29,30);8-9,13,15,18H,6-7,10-12,14H2,1-5H3;9-11,13,17H,6-8,12H2,1-5H3;1-4H,(H2,7,8)
InChIKeyBCZXQBZHQPYZPQ-UHFFFAOYSA-N
XLogP26.66
TPSA461.87 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002401.78
LogP ≤ 526.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid with MolForge

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Related Compounds

2-aminopyridine-3-carbaldehyde;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one;(2S)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pentane-1,4-dione;3-bromo-2-methylprop-1-ene;ethyl 6-amino-3-(6-methoxy-3-pyridinyl)hexanoate;ethyl 3-(4-methoxyphenyl)-6-[(3S)-5-methyl-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;ethyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;ethyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-5-methyl-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate
CID 157229406
2-but-3-enyl-1,8-naphthyridine;ethyl 3-(4-bromo-5-methyl-1,3-oxazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[5-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]-1,3-oxazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-(5-methyl-1,3-oxazol-2-yl)propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[5-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-oxazol-2-yl]propanoate;ethyl 5-methyl-1,3-oxazole-2-carboxylate;ethyl (E)-3-(5-methyl-1,3-oxazol-2-yl)prop-2-enoate;(3-fluoro-4-methoxyphenyl)boronic acid;5-methyl-1,3-oxazole-2-carbaldehyde;(5-methyl-1,3-oxazol-2-yl)methanol
CID 158424763
6-(Azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid
CID 159245512
2-but-3-enyl-1,8-naphthyridine;ethyl 3-(4-bromo-5-methyl-1,3-oxazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[5-methyl-4-[4-(1,8-naphthyridin-2-yl)butyl]-1,3-oxazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-(5-methyl-1,3-oxazol-2-yl)propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[5-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-oxazol-2-yl]propanoate;ethyl 5-methyl-1,3-oxazole-2-carboxylate;ethyl (E)-3-(5-methyl-1,3-oxazol-2-yl)prop-2-enoate;(3-fluoro-4-methoxyphenyl)boronic acid;5-methyl-1,3-oxazole-2-carbaldehyde;(5-methyl-1,3-oxazol-2-yl)methanol
CID 160497993
[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
CID 160735484
CID 160889071
CID 160889071
2-aminopyridine-3-carbaldehyde;(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)propan-1-amine;1-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one;1-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]pyrrolidin-2-one;1-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)propyl]-3-(4-oxopentyl)pyrrolidin-2-one;1-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-2-one;6-(2-methyl-1,3-dioxolan-2-yl)-3-(2-oxo-1,3-oxazolidine-3-carbonyl)hexanal;hydrochloride
CID 161545676
2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate
CID 162073481
2-[8-Benzyl-2-[(5-ethyl-4-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid;2-[8-benzyl-2-[1-(furan-2-yl)ethyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid;[8-benzyl-2-[(4-methyl-5-propan-2-ylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;2-[8-[(2,3-difluorophenyl)methyl]-2-[(5-ethyl-4-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid;2-[8-[(3-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-yl]acetic acid
CID 175731096

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid (CID 157310727) is 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid is COc1ccc(C(CC(=O)O)c2nc(CCCc3ccc4c(n3)CCCC4)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCC(C)=O)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCC3(C)OCCO3)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCc3ccc4c(n3)CCCC4)co2)cc1F.COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(CCCc3ccc4cccnc4n3)co2)cc1F.Nc1ncccc1C=O.
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is BCZXQBZHQPYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2O4.C28H30FN3O4.C25H27FN2O4.C24H32FNO6.C22H28FNO5.C6H6N2O/c1-29(2,3)36-27(33)17-23(20-13-15-26(34-4)24(30)16-20)28-32-22(18-35-28)10-7-9-21-14-12-19-8-5-6-11-25(19)31-21;1-28(2,3)36-25(33)16-22(19-11-13-24(34-4)23(29)15-19)27-32-21(17-35-27)9-5-8-20-12-10-18-7-6-14-30-26(18)31-20;1-31-23-12-10-17(13-21(23)26)20(14-24(29)30)25-28-19(15-32-25)7-4-6-18-11-9-16-5-2-3-8-22(16)27-18;1-23(2,3)32-21(27)14-18(16-8-9-20(28-5)19(25)13-16)22-26-17(15-29-22)7-6-10-24(4)30-11-12-31-24;1-14(25)7-6-8-16-13-28-21(24-16)17(12-20(26)29-22(2,3)4)15-9-10-19(27-5)18(23)11-15;7-6-5(4-9)2-1-3-8-6/h12-16,18,23H,5-11,17H2,1-4H3;6-7,10-15,17,22H,5,8-9,16H2,1-4H3;9-13,15,20H,2-8,14H2,1H3,(H,29,30);8-9,13,15,18H,6-7,10-12,14H2,1-5H3;9-11,13,17H,6-8,12H2,1-5H3;1-4H,(H2,7,8).
What are the key properties of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 2401.78 g/mol, XLogP of 26.66, 46 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 157310727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).