5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

C27H38N4O4 — CID 118867797

IUPAC5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(OCCN2CCOCC2)ncc1OCC1CCCCC1c1ccnn1C1CCCC1
InChIInChI=1S/C27H38N4O4/c32-19-22-17-27(34-16-13-30-11-14-33-15-12-30)28-18-26(22)35-20-21-5-1-4-8-24(21)25-9-10-29-31(25)23-6-2-3-7-23/h9-10,17-19,21,23-24H,1-8,11-16,20H2
InChIKeyLREBWNLYOFAVKI-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.27
Rot. Bonds10

About 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (PubChem CID 118867797) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
PubChem CID118867797
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(OCCN2CCOCC2)ncc1OCC1CCCCC1c1ccnn1C1CCCC1
InChIInChI=1S/C27H38N4O4/c32-19-22-17-27(34-16-13-30-11-14-33-15-12-30)28-18-26(22)35-20-21-5-1-4-8-24(21)25-9-10-29-31(25)23-6-2-3-7-23/h9-10,17-19,21,23-24H,1-8,11-16,20H2
InChIKeyLREBWNLYOFAVKI-UHFFFAOYSA-N
XLogP4.27
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434135
5-[(5-methyl-5,6,6a,7,8,9,10,10a-octahydropyrazolo[5,1-a]isoquinolin-6-yl)oxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 123583902
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434266
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847
2-(2-morpholin-4-ylethoxy)-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 118867840
5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 129254356
2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde
CID 123732373
5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 144710030
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (CID 118867797) is 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is O=Cc1cc(OCCN2CCOCC2)ncc1OCC1CCCCC1c1ccnn1C1CCCC1.
What is the InChIKey of 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The InChIKey is LREBWNLYOFAVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4/c32-19-22-17-27(34-16-13-30-11-14-33-15-12-30)28-18-26(22)35-20-21-5-1-4-8-24(21)25-9-10-29-31(25)23-6-2-3-7-23/h9-10,17-19,21,23-24H,1-8,11-16,20H2.
What are the key properties of 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde has a molecular weight of 482.63 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 118867797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).