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

C24H32N4O4 — CID 123583902

IUPAC5-[(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
SMILESCC1C(Oc2cnc(OCCN3CCOCC3)cc2C=O)C2CCCCC2c2ccnn21
InChIInChI=1S/C24H32N4O4/c1-17-24(20-5-3-2-4-19(20)21-6-7-26-28(17)21)32-22-15-25-23(14-18(22)16-29)31-13-10-27-8-11-30-12-9-27/h6-7,14-17,19-20,24H,2-5,8-13H2,1H3
InChIKeyBZSDBMZJWONESY-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.10
Rot. Bonds7

About 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

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 (PubChem CID 123583902) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID123583902
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name5-[(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
SMILESCC1C(Oc2cnc(OCCN3CCOCC3)cc2C=O)C2CCCCC2c2ccnn21
InChIInChI=1S/C24H32N4O4/c1-17-24(20-5-3-2-4-19(20)21-6-7-26-28(17)21)32-22-15-25-23(14-18(22)16-29)31-13-10-27-8-11-30-12-9-27/h6-7,14-17,19-20,24H,2-5,8-13H2,1H3
InChIKeyBZSDBMZJWONESY-UHFFFAOYSA-N
XLogP3.10
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 118867797
5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434135
5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 129254356
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434266
2-(2-morpholin-4-ylethoxy)-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 118867840
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082
3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde
CID 71420401
5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 89110267
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C(Oc2cnc(OCCN3CCOCC3)cc2C=O)C2CCCCC2c2ccnn21.
What is the InChIKey of 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?
The InChIKey is BZSDBMZJWONESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-17-24(20-5-3-2-4-19(20)21-6-7-26-28(17)21)32-22-15-25-23(14-18(22)16-29)31-13-10-27-8-11-30-12-9-27/h6-7,14-17,19-20,24H,2-5,8-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 440.54 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123583902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).