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

C19H12ClFN4O — CID 154656702

IUPAC2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cc(-c2nc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C19H12ClFN4O/c1-10-7-12(8-14(20)23-10)16-15(11-5-3-2-4-6-11)25-19-17(24-16)18(26)13(21)9-22-19/h2-9H,1H3,(H,22,25,26)
InChIKeyCMRUDJMYFCSOJU-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.15
Rot. Bonds2

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

2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656702) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656702
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cc(-c2nc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C19H12ClFN4O/c1-10-7-12(8-14(20)23-10)16-15(11-5-3-2-4-6-11)25-19-17(24-16)18(26)13(21)9-22-19/h2-9H,1H3,(H,22,25,26)
InChIKeyCMRUDJMYFCSOJU-UHFFFAOYSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.15
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 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656702) is 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is Cc1cc(-c2nc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is CMRUDJMYFCSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c1-10-7-12(8-14(20)23-10)16-15(11-5-3-2-4-6-11)25-19-17(24-16)18(26)13(21)9-22-19/h2-9H,1H3,(H,22,25,26).
What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 366.78 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methyl-4-pyridinyl)-7-fluoro-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).