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

C20H14ClFN4O2 — CID 154656999

IUPAC2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCOc1c[nH]c2nc(-c3ccc(F)cc3)c(-c3cc(C)nc(Cl)c3)nc2c1=O
InChIInChI=1S/C20H14ClFN4O2/c1-10-7-12(8-15(21)24-10)17-16(11-3-5-13(22)6-4-11)26-20-18(25-17)19(27)14(28-2)9-23-20/h3-9H,1-2H3,(H,23,26,27)
InChIKeyZMOITAZAOWMINB-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.16
Rot. Bonds3

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

2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656999) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656999
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCOc1c[nH]c2nc(-c3ccc(F)cc3)c(-c3cc(C)nc(Cl)c3)nc2c1=O
InChIInChI=1S/C20H14ClFN4O2/c1-10-7-12(8-15(21)24-10)17-16(11-3-5-13(22)6-4-11)26-20-18(25-17)19(27)14(28-2)9-23-20/h3-9H,1-2H3,(H,23,26,27)
InChIKeyZMOITAZAOWMINB-UHFFFAOYSA-N
XLogP4.16
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656999) is 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one is COc1c[nH]c2nc(-c3ccc(F)cc3)c(-c3cc(C)nc(Cl)c3)nc2c1=O.
What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is ZMOITAZAOWMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-10-7-12(8-15(21)24-10)17-16(11-3-5-13(22)6-4-11)26-20-18(25-17)19(27)14(28-2)9-23-20/h3-9H,1-2H3,(H,23,26,27).
What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one?
2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 396.81 g/mol, XLogP of 4.16, 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)-3-(4-fluorophenyl)-7-methoxy-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).