2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde

C20H13ClN4O2 — CID 154656934

IUPAC2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
SMILESCc1cc(-c2nc3c(=O)cc(C=O)[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C20H13ClN4O2/c1-11-7-13(8-16(21)22-11)18-17(12-5-3-2-4-6-12)25-20-19(24-18)15(27)9-14(10-26)23-20/h2-10H,1H3,(H,23,25,27)
InChIKeyHLMDDUIAOGUHPX-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.82
Rot. Bonds3

About 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde

2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde (PubChem CID 154656934) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
PubChem CID154656934
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC Name2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
SMILESCc1cc(-c2nc3c(=O)cc(C=O)[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C20H13ClN4O2/c1-11-7-13(8-16(21)22-11)18-17(12-5-3-2-4-6-12)25-20-19(24-18)15(27)9-14(10-26)23-20/h2-10H,1H3,(H,23,25,27)
InChIKeyHLMDDUIAOGUHPX-UHFFFAOYSA-N
XLogP3.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde?
The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde (CID 154656934) is 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde.
What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde?
The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde is Cc1cc(-c2nc3c(=O)cc(C=O)[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde?
The InChIKey is HLMDDUIAOGUHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c1-11-7-13(8-16(21)22-11)18-17(12-5-3-2-4-6-12)25-20-19(24-18)15(27)9-14(10-26)23-20/h2-10H,1H3,(H,23,25,27).
What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde?
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde has a molecular weight of 376.80 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde is sourced from PubChem (CID 154656934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).