2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde

C113H119N23O20 — CID 158967052

IUPAC2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1c[nH]c(=O)cc1C=O.CC(C)n1nccc1-c1ncccc1COc1cccnc1C=O.CC(C)n1nccc1-c1ncccc1COc1cnc(OCCN2CCOCC2)cc1C=O.COc1cc(C=O)c(OCc2cccnc2-c2ccnn2CC(=O)O)cn1.COc1cc(C=O)c(OCc2cccnc2C(C)(C)O)cn1.Cc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1
InChIInChI=1S/C24H29N5O4.C19H20N4O2.C18H16N4O5.C18H18N4O3.C18H18N4O2.C16H18N2O4/c1-18(2)29-21(5-7-27-29)24-19(4-3-6-25-24)17-33-22-15-26-23(14-20(22)16-30)32-13-10-28-8-11-31-12-9-28;1-13(2)23-17(8-10-21-23)19-15(5-4-9-20-19)12-25-18-7-6-14(3)22-16(18)11-24;1-26-16-7-13(10-23)15(8-20-16)27-11-12-3-2-5-19-18(12)14-4-6-21-22(14)9-17(24)25;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;1-13(2)22-16(7-10-21-22)18-14(5-3-9-20-18)12-24-17-6-4-8-19-15(17)11-23;1-16(2,20)15-11(5-4-6-17-15)10-22-13-8-18-14(21-3)7-12(13)9-19/h3-7,14-16,18H,8-13,17H2,1-2H3;4-11,13H,12H2,1-3H3;2-8,10H,9,11H2,1H3,(H,24,25);3-10,12H,11H2,1-2H3,(H,20,24);3-11,13H,12H2,1-2H3;4-9,20H,10H2,1-3H3
InChIKeyJNILNKXGUROHET-UHFFFAOYSA-N
MW2119.34 g/mol
LogP16.49
Rot. Bonds42

About 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde

2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde (PubChem CID 158967052) has the molecular formula C113H119N23O20 and a molecular weight of 2119.34 g/mol. Its IUPAC name is 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
PubChem CID158967052
Molecular FormulaC113H119N23O20
Molecular Weight2119.34 g/mol
Exact Mass2117.90
IUPAC Name2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1c[nH]c(=O)cc1C=O.CC(C)n1nccc1-c1ncccc1COc1cccnc1C=O.CC(C)n1nccc1-c1ncccc1COc1cnc(OCCN2CCOCC2)cc1C=O.COc1cc(C=O)c(OCc2cccnc2-c2ccnn2CC(=O)O)cn1.COc1cc(C=O)c(OCc2cccnc2C(C)(C)O)cn1.Cc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1
InChIInChI=1S/C24H29N5O4.C19H20N4O2.C18H16N4O5.C18H18N4O3.C18H18N4O2.C16H18N2O4/c1-18(2)29-21(5-7-27-29)24-19(4-3-6-25-24)17-33-22-15-26-23(14-20(22)16-30)32-13-10-28-8-11-31-12-9-28;1-13(2)23-17(8-10-21-23)19-15(5-4-9-20-19)12-25-18-7-6-14(3)22-16(18)11-24;1-26-16-7-13(10-23)15(8-20-16)27-11-12-3-2-5-19-18(12)14-4-6-21-22(14)9-17(24)25;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;1-13(2)22-16(7-10-21-22)18-14(5-3-9-20-18)12-24-17-6-4-8-19-15(17)11-23;1-16(2,20)15-11(5-4-6-17-15)10-22-13-8-18-14(21-3)7-12(13)9-19/h3-7,14-16,18H,8-13,17H2,1-2H3;4-11,13H,12H2,1-3H3;2-8,10H,9,11H2,1H3,(H,24,25);3-10,12H,11H2,1-2H3,(H,20,24);3-11,13H,12H2,1-2H3;4-9,20H,10H2,1-3H3
InChIKeyJNILNKXGUROHET-UHFFFAOYSA-N
XLogP16.49
TPSA519.24 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002119.34
LogP ≤ 516.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde (CID 158967052) is 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde is CC(C)n1nccc1-c1ncccc1COc1c[nH]c(=O)cc1C=O.CC(C)n1nccc1-c1ncccc1COc1cccnc1C=O.CC(C)n1nccc1-c1ncccc1COc1cnc(OCCN2CCOCC2)cc1C=O.COc1cc(C=O)c(OCc2cccnc2-c2ccnn2CC(=O)O)cn1.COc1cc(C=O)c(OCc2cccnc2C(C)(C)O)cn1.Cc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1.
What is the InChIKey of 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
The InChIKey is JNILNKXGUROHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4.C19H20N4O2.C18H16N4O5.C18H18N4O3.C18H18N4O2.C16H18N2O4/c1-18(2)29-21(5-7-27-29)24-19(4-3-6-25-24)17-33-22-15-26-23(14-20(22)16-30)32-13-10-28-8-11-31-12-9-28;1-13(2)23-17(8-10-21-23)19-15(5-4-9-20-19)12-25-18-7-6-14(3)22-16(18)11-24;1-26-16-7-13(10-23)15(8-20-16)27-11-12-3-2-5-19-18(12)14-4-6-21-22(14)9-17(24)25;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;1-13(2)22-16(7-10-21-22)18-14(5-3-9-20-18)12-24-17-6-4-8-19-15(17)11-23;1-16(2,20)15-11(5-4-6-17-15)10-22-13-8-18-14(21-3)7-12(13)9-19/h3-7,14-16,18H,8-13,17H2,1-2H3;4-11,13H,12H2,1-3H3;2-8,10H,9,11H2,1H3,(H,24,25);3-10,12H,11H2,1-2H3,(H,20,24);3-11,13H,12H2,1-2H3;4-9,20H,10H2,1-3H3.
What are the key properties of 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde has a molecular weight of 2119.34 g/mol, XLogP of 16.49, 42 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-pyridinyl]pyrazol-1-yl]acetic acid;5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde;6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde;2-(2-morpholin-4-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 158967052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).