3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde

C20H22N4O3 — CID 170163268

IUPAC3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
SMILESCOc1cncc(OC(C)c2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C20H22N4O3/c1-13(2)24-17(7-9-23-24)20-15(6-5-8-22-20)14(3)27-19-11-21-10-18(26-4)16(19)12-25/h5-14H,1-4H3
InChIKeyLWWMYVSPOAXWDQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.88
Rot. Bonds7

About 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde

3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde (PubChem CID 170163268) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
PubChem CID170163268
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
SMILESCOc1cncc(OC(C)c2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C20H22N4O3/c1-13(2)24-17(7-9-23-24)20-15(6-5-8-22-20)14(3)27-19-11-21-10-18(26-4)16(19)12-25/h5-14H,1-4H3
InChIKeyLWWMYVSPOAXWDQ-UHFFFAOYSA-N
XLogP3.88
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-[2-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 169285053
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 85471436
3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 90438097
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
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
5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde
CID 91885561
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
2-(2-methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
tert-butyl N-[2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenyl]carbamate
CID 129254362
2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde
CID 86305517
3-methoxy-5-[[2-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 134546491

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde (CID 170163268) is 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde is COc1cncc(OC(C)c2cccnc2-c2ccnn2C(C)C)c1C=O.
What is the InChIKey of 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
The InChIKey is LWWMYVSPOAXWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)24-17(7-9-23-24)20-15(6-5-8-22-20)14(3)27-19-11-21-10-18(26-4)16(19)12-25/h5-14H,1-4H3.
What are the key properties of 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde has a molecular weight of 366.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 170163268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).