4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C101H109F3N18O14 — CID 159278460

About 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 159278460) has the molecular formula C101H109F3N18O14 and a molecular weight of 1856.09 g/mol. Its IUPAC name is 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

• Compound Name: 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
• PubChem CID: 159278460
• Molecular Formula: C101H109F3N18O14
• Molecular Weight: 1856.09 g/mol
• Exact Mass: 1854.83
• IUPAC Name: 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
• SMILES: C=Cc1cc(OC)ncc1OCc1cccnc1-c1ccn(CC(F)(F)F)n1.CC(C)n1nccc1-c1ncccc1COc1c[nH]c(=O)cc1C=O.CC(C)n1nccc1-c1ncccc1COc1cnc(OCCN2CCCCC2)cc1C=O.CCn1nccc1-c1ncccc1COc1cnc(OCCOC)cc1C=O.Cc1cccc(OC[C@H]2CCCN2c2ccccc2)c1C=O
• InChI: InChI=1S/C25H31N5O3.C20H22N4O4.C19H17F3N4O2.C19H21NO2.C18H18N4O3/c1-19(2)30-22(8-10-28-30)25-20(7-6-9-26-25)18-33-23-16-27-24(15-21(23)17-31)32-14-13-29-11-4-3-5-12-29;1-3-24-17(6-8-23-24)20-15(5-4-7-21-20)14-28-18-12-22-19(11-16(18)13-25)27-10-9-26-2;1-3-13-9-17(27-2)24-10-16(13)28-11-14-5-4-7-23-18(14)15-6-8-26(25-15)12-19(20,21)22;1-15-7-5-11-19(18(15)13-21)22-14-17-10-6-12-20(17)16-8-3-2-4-9-16;1-12(2)22-15(5-7-21-22)18-13(4-3-6-19-18)11-25-16-9-20-17(24)8-14(16)10-23/h6-10,15-17,19H,3-5,11-14,18H2,1-2H3;4-8,11-13H,3,9-10,14H2,1-2H3;3-10H,1,11-12H2,2H3;2-5,7-9,11,13,17H,6,10,12,14H2,1H3;3-10,12H,11H2,1-2H3,(H,20,24)/t;;;17-;/m...1./s1
• InChIKey: KYPMWRGHOAHLGB-SBKCZVGZSA-N
• XLogP: 17.55
• TPSA: 352.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.09
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?

The IUPAC name of 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 159278460) is 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

What is the SMILES notation for 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?

The canonical SMILES for 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is C=Cc1cc(OC)ncc1OCc1cccnc1-c1ccn(CC(F)(F)F)n1.CC(C)n1nccc1-c1ncccc1COc1c[nH]c(=O)cc1C=O.CC(C)n1nccc1-c1ncccc1COc1cnc(OCCN2CCCCC2)cc1C=O.CCn1nccc1-c1ncccc1COc1cnc(OCCOC)cc1C=O.Cc1cccc(OC[C@H]2CCCN2c2ccccc2)c1C=O.

What is the InChIKey of 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?

The InChIKey is KYPMWRGHOAHLGB-SBKCZVGZSA-N. The full InChI is InChI=1S/C25H31N5O3.C20H22N4O4.C19H17F3N4O2.C19H21NO2.C18H18N4O3/c1-19(2)30-22(8-10-28-30)25-20(7-6-9-26-25)18-33-23-16-27-24(15-21(23)17-31)32-14-13-29-11-4-3-5-12-29;1-3-24-17(6-8-23-24)20-15(5-4-7-21-20)14-28-18-12-22-19(11-16(18)13-25)27-10-9-26-2;1-3-13-9-17(27-2)24-10-16(13)28-11-14-5-4-7-23-18(14)15-6-8-26(25-15)12-19(20,21)22;1-15-7-5-11-19(18(15)13-21)22-14-17-10-6-12-20(17)16-8-3-2-4-9-16;1-12(2)22-15(5-7-21-22)18-13(4-3-6-19-18)11-25-16-9-20-17(24)8-14(16)10-23/h6-10,15-17,19H,3-5,11-14,18H2,1-2H3;4-8,11-13H,3,9-10,14H2,1-2H3;3-10H,1,11-12H2,2H3;2-5,7-9,11,13,17H,6,10,12,14H2,1H3;3-10,12H,11H2,1-2H3,(H,20,24)/t;;;17-;/m...1./s1.

What are the key properties of 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?

4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 1856.09 g/mol, XLogP of 17.55, 38 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 159278460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).