7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one

C19H11BrClFN4O — CID 154656834

IUPAC7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cc(-c2nc3c(=O)c(Br)c[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C19H11BrClFN4O/c1-9-6-11(7-14(21)24-9)16-15(10-2-4-12(22)5-3-10)26-19-17(25-16)18(27)13(20)8-23-19/h2-8H,1H3,(H,23,26,27)
InChIKeyBESVBXCIUKRTMH-UHFFFAOYSA-N
MW445.68 g/mol
LogP4.91
Rot. Bonds2

About 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one

7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656834) has the molecular formula C19H11BrClFN4O and a molecular weight of 445.68 g/mol. Its IUPAC name is 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656834
Molecular FormulaC19H11BrClFN4O
Molecular Weight445.68 g/mol
Exact Mass443.98
IUPAC Name7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cc(-c2nc3c(=O)c(Br)c[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C19H11BrClFN4O/c1-9-6-11(7-14(21)24-9)16-15(10-2-4-12(22)5-3-10)26-19-17(25-16)18(27)13(20)8-23-19/h2-8H,1H3,(H,23,26,27)
InChIKeyBESVBXCIUKRTMH-UHFFFAOYSA-N
XLogP4.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656834) is 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one is Cc1cc(-c2nc3c(=O)c(Br)c[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is BESVBXCIUKRTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClFN4O/c1-9-6-11(7-14(21)24-9)16-15(10-2-4-12(22)5-3-10)26-19-17(25-16)18(27)13(20)8-23-19/h2-8H,1H3,(H,23,26,27).
What are the key properties of 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one?
7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 445.68 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).