4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C20H25BrN4O — CID 122193722

IUPAC4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCN(C)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C20H25BrN4O/c1-6-24(5)17-9-13(4)22-20-19(17)23-18(26)11-25(20)16-8-7-14(12(2)3)10-15(16)21/h7-10,12H,6,11H2,1-5H3,(H,23,26)
InChIKeyKZTUDHOMEDPIIR-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.82
Rot. Bonds4

About 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 122193722) has the molecular formula C20H25BrN4O and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID122193722
Molecular FormulaC20H25BrN4O
Molecular Weight417.35 g/mol
Exact Mass416.12
IUPAC Name4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCN(C)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C20H25BrN4O/c1-6-24(5)17-9-13(4)22-20-19(17)23-18(26)11-25(20)16-8-7-14(12(2)3)10-15(16)21/h7-10,12H,6,11H2,1-5H3,(H,23,26)
InChIKeyKZTUDHOMEDPIIR-UHFFFAOYSA-N
XLogP4.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 122193722) is 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCN(C)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is KZTUDHOMEDPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O/c1-6-24(5)17-9-13(4)22-20-19(17)23-18(26)11-25(20)16-8-7-14(12(2)3)10-15(16)21/h7-10,12H,6,11H2,1-5H3,(H,23,26).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 417.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 122193722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).