methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid

C66H84N16O8 — CID 158233837

IUPACmethyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid
SMILESCOC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.Cc1c(Cc2cnccc2C(=O)O)cnn1C1CCNCC1.Cc1nn(C2CCNCC2)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/2C17H22N4O2.2C16H20N4O2/c1-12-13(11-20-21(12)15-3-6-18-7-4-15)9-14-10-19-8-5-16(14)17(22)23-2;1-12-14(11-21(20-12)15-3-6-18-7-4-15)9-13-10-19-8-5-16(13)17(22)23-2;1-11-12(8-13-9-18-7-4-15(13)16(21)22)10-19-20(11)14-2-5-17-6-3-14;1-11-13(8-12-9-18-7-4-15(12)16(21)22)10-20(19-11)14-2-5-17-6-3-14/h2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3;2*4,7,9-10,14,17H,2-3,5-6,8H2,1H3,(H,21,22)
InChIKeyGESDTQLWIYMZJX-UHFFFAOYSA-N
MW1229.50 g/mol
LogP7.38
Rot. Bonds16

About methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid

methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 158233837) has the molecular formula C66H84N16O8 and a molecular weight of 1229.50 g/mol. Its IUPAC name is methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Namemethyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid
PubChem CID158233837
Molecular FormulaC66H84N16O8
Molecular Weight1229.50 g/mol
Exact Mass1228.67
IUPAC Namemethyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid
SMILESCOC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.Cc1c(Cc2cnccc2C(=O)O)cnn1C1CCNCC1.Cc1nn(C2CCNCC2)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/2C17H22N4O2.2C16H20N4O2/c1-12-13(11-20-21(12)15-3-6-18-7-4-15)9-14-10-19-8-5-16(14)17(22)23-2;1-12-14(11-21(20-12)15-3-6-18-7-4-15)9-13-10-19-8-5-16(13)17(22)23-2;1-11-12(8-13-9-18-7-4-15(13)16(21)22)10-19-20(11)14-2-5-17-6-3-14;1-11-13(8-12-9-18-7-4-15(12)16(21)22)10-20(19-11)14-2-5-17-6-3-14/h2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3;2*4,7,9-10,14,17H,2-3,5-6,8H2,1H3,(H,21,22)
InChIKeyGESDTQLWIYMZJX-UHFFFAOYSA-N
XLogP7.38
TPSA298.16 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001229.50
LogP ≤ 57.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

Bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;propane;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157153345
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 158749894
sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]indolizine-7-carboxamide;6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 159040177
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 159043135
(4R)-5-(3,5-difluorophenyl)-4-[3-[3-[4-(dimethylamino)butanoyl]phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]benzoic acid;N',N'-dimethylethane-1,2-diamine;methyl 3-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]benzoate
CID 162216036
Osmium pyridylpyrazolate
CID 129822446
Hexakis(methyl pyrazolo[1,5-a]pyridin-8-ium-1-ide-3-carboxylate);tris(palladium(2+));hexaacetate
CID 168332577
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 58510487
2-[[2-[10,15-Bis[1-[(2-carboxyphenyl)methyl]pyridin-1-ium-2-yl]-20-[1-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]methyl]benzoic acid
CID 58584365
2-[[2-[10,15,20-Tris[1-[(2-carboxyphenyl)methyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]methyl]benzoic acid
CID 58584368
[3-[6-[[(1S)-1-phenylethyl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridin-5-yl]methanol;3-[6-(piperidin-4-ylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid;N-piperidin-4-yl-6-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 89734814
[3-[6-[[(1S)-1-phenylethyl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridin-5-yl]methyl 3-[6-(piperidin-4-ylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxylate;N-piperidin-4-yl-6-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 89734816

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid (CID 158233837) is methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid is COC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.Cc1c(Cc2cnccc2C(=O)O)cnn1C1CCNCC1.Cc1nn(C2CCNCC2)cc1Cc1cnccc1C(=O)O.
What is the InChIKey of methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is GESDTQLWIYMZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H22N4O2.2C16H20N4O2/c1-12-13(11-20-21(12)15-3-6-18-7-4-15)9-14-10-19-8-5-16(14)17(22)23-2;1-12-14(11-21(20-12)15-3-6-18-7-4-15)9-13-10-19-8-5-16(13)17(22)23-2;1-11-12(8-13-9-18-7-4-15(13)16(21)22)10-19-20(11)14-2-5-17-6-3-14;1-11-13(8-12-9-18-7-4-15(12)16(21)22)10-20(19-11)14-2-5-17-6-3-14/h2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3;2*4,7,9-10,14,17H,2-3,5-6,8H2,1H3,(H,21,22).
What are the key properties of methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 1229.50 g/mol, XLogP of 7.38, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158233837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).