4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine

C21H28BrN3O — CID 10136780

IUPAC4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
SMILESCCC(CC)Oc1cc(C)nc2c1NCCN2c1c(C)cc(Br)cc1C
InChIInChI=1S/C21H28BrN3O/c1-6-17(7-2)26-18-12-15(5)24-21-19(18)23-8-9-25(21)20-13(3)10-16(22)11-14(20)4/h10-12,17,23H,6-9H2,1-5H3
InChIKeyLXVPYWQGTYDBFZ-UHFFFAOYSA-N
MW418.38 g/mol
LogP5.90
Rot. Bonds5

About 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine

4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine (PubChem CID 10136780) has the molecular formula C21H28BrN3O and a molecular weight of 418.38 g/mol. Its IUPAC name is 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
PubChem CID10136780
Molecular FormulaC21H28BrN3O
Molecular Weight418.38 g/mol
Exact Mass417.14
IUPAC Name4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
SMILESCCC(CC)Oc1cc(C)nc2c1NCCN2c1c(C)cc(Br)cc1C
InChIInChI=1S/C21H28BrN3O/c1-6-17(7-2)26-18-12-15(5)24-21-19(18)23-8-9-25(21)20-13(3)10-16(22)11-14(20)4/h10-12,17,23H,6-9H2,1-5H3
InChIKeyLXVPYWQGTYDBFZ-UHFFFAOYSA-N
XLogP5.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.38
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine 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 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
The IUPAC name of 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine (CID 10136780) is 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine is CCC(CC)Oc1cc(C)nc2c1NCCN2c1c(C)cc(Br)cc1C.
What is the InChIKey of 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
The InChIKey is LXVPYWQGTYDBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrN3O/c1-6-17(7-2)26-18-12-15(5)24-21-19(18)23-8-9-25(21)20-13(3)10-16(22)11-14(20)4/h10-12,17,23H,6-9H2,1-5H3.
What are the key properties of 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine has a molecular weight of 418.38 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 10136780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).