6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine

C30H43F3N4O4 — CID 143169359

IUPAC6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1c(OCC(O)CN(C)CCO)ccc(C2CCCC3CN(C=O)CCN32)c1C.Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H37N3O4.C7H6F3N/c1-17-18(2)23(30-15-20(29)14-24(3)11-12-27)8-7-21(17)22-6-4-5-19-13-25(16-28)9-10-26(19)22;1-5-2-3-6(11-4-5)7(8,9)10/h7-8,16,19-20,22,27,29H,4-6,9-15H2,1-3H3;2-4H,1H3
InChIKeyVBJZADMJJYXCJQ-UHFFFAOYSA-N
MW580.69 g/mol
LogP3.74
Rot. Bonds9

About 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine

6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 143169359) has the molecular formula C30H43F3N4O4 and a molecular weight of 580.69 g/mol. Its IUPAC name is 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine
PubChem CID143169359
Molecular FormulaC30H43F3N4O4
Molecular Weight580.69 g/mol
Exact Mass580.32
IUPAC Name6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1c(OCC(O)CN(C)CCO)ccc(C2CCCC3CN(C=O)CCN32)c1C.Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H37N3O4.C7H6F3N/c1-17-18(2)23(30-15-20(29)14-24(3)11-12-27)8-7-21(17)22-6-4-5-19-13-25(16-28)9-10-26(19)22;1-5-2-3-6(11-4-5)7(8,9)10/h7-8,16,19-20,22,27,29H,4-6,9-15H2,1-3H3;2-4H,1H3
InChIKeyVBJZADMJJYXCJQ-UHFFFAOYSA-N
XLogP3.74
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.69
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine (CID 143169359) is 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine is Cc1c(OCC(O)CN(C)CCO)ccc(C2CCCC3CN(C=O)CCN32)c1C.Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is VBJZADMJJYXCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4.C7H6F3N/c1-17-18(2)23(30-15-20(29)14-24(3)11-12-27)8-7-21(17)22-6-4-5-19-13-25(16-28)9-10-26(19)22;1-5-2-3-6(11-4-5)7(8,9)10/h7-8,16,19-20,22,27,29H,4-6,9-15H2,1-3H3;2-4H,1H3.
What are the key properties of 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine?
6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 580.69 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbaldehyde;5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 143169359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).