3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde

C111H113ClN24O9 — CID 159943547

IUPAC3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde
SMILESC=Cc1c(OC)cncc1OCc1cccnc1-c1ccnn1CC.C=Cc1nc(C)ccc1OCc1cccnc1-c1ccnn1CC.C=Cc1ncccc1OCc1cccnc1-c1ccnn1CC.C=Cc1ncccc1OCc1cccnc1-c1ccnn1CCC.CC(C)n1nccc1-c1ncccc1COc1cncc(Cl)c1C=O.CCn1nccc1-c1ncccc1COc1cncc(C)c1C=O
InChIInChI=1S/C19H20N4O2.2C19H20N4O.C18H17ClN4O2.C18H18N4O2.C18H18N4O/c1-4-15-17(24-3)11-20-12-18(15)25-13-14-7-6-9-21-19(14)16-8-10-22-23(16)5-2;1-4-16-18(9-8-14(3)22-16)24-13-15-7-6-11-20-19(15)17-10-12-21-23(17)5-2;1-3-13-23-17(9-12-22-23)19-15(7-5-11-21-19)14-24-18-8-6-10-20-16(18)4-2;1-12(2)23-16(5-7-22-23)18-13(4-3-6-21-18)11-25-17-9-20-8-15(19)14(17)10-24;1-3-22-16(6-8-21-22)18-14(5-4-7-20-18)12-24-17-10-19-9-13(2)15(17)11-23;1-3-15-17(8-6-10-19-15)23-13-14-7-5-11-20-18(14)16-9-12-21-22(16)4-2/h4,6-12H,1,5,13H2,2-3H3;4,6-12H,1,5,13H2,2-3H3;4-12H,2-3,13-14H2,1H3;3-10,12H,11H2,1-2H3;4-11H,3,12H2,1-2H3;3,5-12H,1,4,13H2,2H3
InChIKeyOBETZRGEZITQFP-UHFFFAOYSA-N
MW1962.74 g/mol
LogP22.06
Rot. Bonds38

About 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde

3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde (PubChem CID 159943547) has the molecular formula C111H113ClN24O9 and a molecular weight of 1962.74 g/mol. Its IUPAC name is 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde
PubChem CID159943547
Molecular FormulaC111H113ClN24O9
Molecular Weight1962.74 g/mol
Exact Mass1960.88
IUPAC Name3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde
SMILESC=Cc1c(OC)cncc1OCc1cccnc1-c1ccnn1CC.C=Cc1nc(C)ccc1OCc1cccnc1-c1ccnn1CC.C=Cc1ncccc1OCc1cccnc1-c1ccnn1CC.C=Cc1ncccc1OCc1cccnc1-c1ccnn1CCC.CC(C)n1nccc1-c1ncccc1COc1cncc(Cl)c1C=O.CCn1nccc1-c1ncccc1COc1cncc(C)c1C=O
InChIInChI=1S/C19H20N4O2.2C19H20N4O.C18H17ClN4O2.C18H18N4O2.C18H18N4O/c1-4-15-17(24-3)11-20-12-18(15)25-13-14-7-6-9-21-19(14)16-8-10-22-23(16)5-2;1-4-16-18(9-8-14(3)22-16)24-13-15-7-6-11-20-19(15)17-10-12-21-23(17)5-2;1-3-13-23-17(9-12-22-23)19-15(7-5-11-21-19)14-24-18-8-6-10-20-16(18)4-2;1-12(2)23-16(5-7-22-23)18-13(4-3-6-21-18)11-25-17-9-20-8-15(19)14(17)10-24;1-3-22-16(6-8-21-22)18-14(5-4-7-20-18)12-24-17-10-19-9-13(2)15(17)11-23;1-3-15-17(8-6-10-19-15)23-13-14-7-5-11-20-18(14)16-9-12-21-22(16)4-2/h4,6-12H,1,5,13H2,2-3H3;4,6-12H,1,5,13H2,2-3H3;4-12H,2-3,13-14H2,1H3;3-10,12H,11H2,1-2H3;4-11H,3,12H2,1-2H3;3,5-12H,1,4,13H2,2H3
InChIKeyOBETZRGEZITQFP-UHFFFAOYSA-N
XLogP22.06
TPSA360.35 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.74
LogP ≤ 522.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde (CID 159943547) is 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde is C=Cc1c(OC)cncc1OCc1cccnc1-c1ccnn1CC.C=Cc1nc(C)ccc1OCc1cccnc1-c1ccnn1CC.C=Cc1ncccc1OCc1cccnc1-c1ccnn1CC.C=Cc1ncccc1OCc1cccnc1-c1ccnn1CCC.CC(C)n1nccc1-c1ncccc1COc1cncc(Cl)c1C=O.CCn1nccc1-c1ncccc1COc1cncc(C)c1C=O.
What is the InChIKey of 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde?
The InChIKey is OBETZRGEZITQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.2C19H20N4O.C18H17ClN4O2.C18H18N4O2.C18H18N4O/c1-4-15-17(24-3)11-20-12-18(15)25-13-14-7-6-9-21-19(14)16-8-10-22-23(16)5-2;1-4-16-18(9-8-14(3)22-16)24-13-15-7-6-11-20-19(15)17-10-12-21-23(17)5-2;1-3-13-23-17(9-12-22-23)19-15(7-5-11-21-19)14-24-18-8-6-10-20-16(18)4-2;1-12(2)23-16(5-7-22-23)18-13(4-3-6-21-18)11-25-17-9-20-8-15(19)14(17)10-24;1-3-22-16(6-8-21-22)18-14(5-4-7-20-18)12-24-17-10-19-9-13(2)15(17)11-23;1-3-15-17(8-6-10-19-15)23-13-14-7-5-11-20-18(14)16-9-12-21-22(16)4-2/h4,6-12H,1,5,13H2,2-3H3;4,6-12H,1,5,13H2,2-3H3;4-12H,2-3,13-14H2,1H3;3-10,12H,11H2,1-2H3;4-11H,3,12H2,1-2H3;3,5-12H,1,4,13H2,2H3.
What are the key properties of 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde?
3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde has a molecular weight of 1962.74 g/mol, XLogP of 22.06, 38 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 159943547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).