lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide

C76H73LiN12O9S2 — CID 160867594

IUPAClithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide
SMILESCOC(=O)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.Nc1ccccc1-c1nc2cccnc2s1.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.O=C(O)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.[Li+].[OH-]
InChIInChI=1S/C29H25N5O2S.C18H20N2O3.C17H18N2O3.C12H9N3S.Li.H2O/c35-27(32-23-10-5-4-9-22(23)28-33-25-11-6-14-30-29(25)37-28)24-13-12-21(19-34-15-17-36-18-16-34)26(31-24)20-7-2-1-3-8-20;1-22-18(21)16-8-7-15(13-20-9-11-23-12-10-20)17(19-16)14-5-3-2-4-6-14;20-17(21)15-7-6-14(12-19-8-10-22-11-9-19)16(18-15)13-4-2-1-3-5-13;13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11;;/h1-14H,15-19H2,(H,32,35);2-8H,9-13H2,1H3;1-7H,8-12H2,(H,20,21);1-7H,13H2;;1H2/q;;;;+1;/p-1
InChIKeySLIFPNSHNBUTAR-UHFFFAOYSA-M
MW1369.57 g/mol
LogP9.92
Rot. Bonds15

About lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide

lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide (PubChem CID 160867594) has the molecular formula C76H73LiN12O9S2 and a molecular weight of 1369.57 g/mol. Its IUPAC name is lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide.

Molecular Properties

Compound Namelithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide
PubChem CID160867594
Molecular FormulaC76H73LiN12O9S2
Molecular Weight1369.57 g/mol
Exact Mass1368.52
IUPAC Namelithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide
SMILESCOC(=O)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.Nc1ccccc1-c1nc2cccnc2s1.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.O=C(O)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.[Li+].[OH-]
InChIInChI=1S/C29H25N5O2S.C18H20N2O3.C17H18N2O3.C12H9N3S.Li.H2O/c35-27(32-23-10-5-4-9-22(23)28-33-25-11-6-14-30-29(25)37-28)24-13-12-21(19-34-15-17-36-18-16-34)26(31-24)20-7-2-1-3-8-20;1-22-18(21)16-8-7-15(13-20-9-11-23-12-10-20)17(19-16)14-5-3-2-4-6-14;20-17(21)15-7-6-14(12-19-8-10-22-11-9-19)16(18-15)13-4-2-1-3-5-13;13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11;;/h1-14H,15-19H2,(H,32,35);2-8H,9-13H2,1H3;1-7H,8-12H2,(H,20,21);1-7H,13H2;;1H2/q;;;;+1;/p-1
InChIKeySLIFPNSHNBUTAR-UHFFFAOYSA-M
XLogP9.92
TPSA276.36 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001369.57
LogP ≤ 59.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide with MolForge

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Related Compounds

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid
CID 158008628
4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 157164836
methane;4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]-6-phenylpyridine-2-carboxylic acid;6-phenyl-4-(2-piperidin-1-ylethoxy)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 157973392
4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 158662989
4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 159288659
methane;4-(2-morpholin-4-ylethoxy)-6-phenylpyridine-2-carboxylic acid;4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 159505219
N,4-diphenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate;methane;methyl 2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]benzoate;4-methyl-N-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 160163888
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(4-cyanooxan-4-yl)benzoic acid;N-[5-[[3-(4-cyanooxan-4-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;methane;methyl 3-(cyanomethyl)benzoate;methyl 3-(4-cyanooxan-4-yl)benzoate
CID 160749586
N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]pyridine-2-carboxamide;benzyl N-[(5S)-5-(aminoiodanuidylmethyl)-6-(1,3-benzothiazol-2-yl)-6-oxohexyl]carbamate;benzyl N-[(5S)-6-(1,3-benzothiazol-2-yl)-6-oxo-5-(pyridine-2-carbonylamino)hexyl]carbamate;pyridine-2-carboxylic acid
CID 160870036
7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride
CID 160931882
2-[4-[4-(2-aminoethyl)phenyl]piperazin-1-yl]-1-phenylethanone;7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride
CID 161633923
4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 161700384

Frequently Asked Questions

What is the IUPAC name of lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide?
The IUPAC name of lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide (CID 160867594) is lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide.
What is the SMILES notation for lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide?
The canonical SMILES for lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide is COC(=O)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.Nc1ccccc1-c1nc2cccnc2s1.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.O=C(O)c1ccc(CN2CCOCC2)c(-c2ccccc2)n1.[Li+].[OH-].
What is the InChIKey of lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide?
The InChIKey is SLIFPNSHNBUTAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H25N5O2S.C18H20N2O3.C17H18N2O3.C12H9N3S.Li.H2O/c35-27(32-23-10-5-4-9-22(23)28-33-25-11-6-14-30-29(25)37-28)24-13-12-21(19-34-15-17-36-18-16-34)26(31-24)20-7-2-1-3-8-20;1-22-18(21)16-8-7-15(13-20-9-11-23-12-10-20)17(19-16)14-5-3-2-4-6-14;20-17(21)15-7-6-14(12-19-8-10-22-11-9-19)16(18-15)13-4-2-1-3-5-13;13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11;;/h1-14H,15-19H2,(H,32,35);2-8H,9-13H2,1H3;1-7H,8-12H2,(H,20,21);1-7H,13H2;;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide?
lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide has a molecular weight of 1369.57 g/mol, XLogP of 9.92, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide is sourced from PubChem (CID 160867594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).