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

C19H23BrN4O — CID 122193721

IUPAC4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2
InChIInChI=1S/C19H23BrN4O/c1-11(2)13-6-7-15(14(20)9-13)24-10-17(25)22-18-16(23(4)5)8-12(3)21-19(18)24/h6-9,11H,10H2,1-5H3,(H,22,25)
InChIKeyMBWXBLKHKYOTSW-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.43
Rot. Bonds3

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

4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 122193721) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID122193721
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2
InChIInChI=1S/C19H23BrN4O/c1-11(2)13-6-7-15(14(20)9-13)24-10-17(25)22-18-16(23(4)5)8-12(3)21-19(18)24/h6-9,11H,10H2,1-5H3,(H,22,25)
InChIKeyMBWXBLKHKYOTSW-UHFFFAOYSA-N
XLogP4.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.43
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-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 122193721) is 4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-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-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is Cc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is MBWXBLKHKYOTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c1-11(2)13-6-7-15(14(20)9-13)24-10-17(25)22-18-16(23(4)5)8-12(3)21-19(18)24/h6-9,11H,10H2,1-5H3,(H,22,25).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 403.32 g/mol, XLogP of 4.43, 3 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-(dimethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 122193721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).