2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

C21H15ClN4O2 — CID 154656659

IUPAC2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c(=O)n(C4CC4)c3)nc12
InChIInChI=1S/C21H15ClN4O2/c22-15-10-13(11-26(21(15)28)14-6-7-14)18-17(12-4-2-1-3-5-12)25-20-19(24-18)16(27)8-9-23-20/h1-5,8-11,14H,6-7H2,(H,23,25,27)
InChIKeyXKVLRQXKAYTQKR-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.80
Rot. Bonds3

About 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656659) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656659
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c(=O)n(C4CC4)c3)nc12
InChIInChI=1S/C21H15ClN4O2/c22-15-10-13(11-26(21(15)28)14-6-7-14)18-17(12-4-2-1-3-5-12)25-20-19(24-18)16(27)8-9-23-20/h1-5,8-11,14H,6-7H2,(H,23,25,27)
InChIKeyXKVLRQXKAYTQKR-UHFFFAOYSA-N
XLogP3.80
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656659) is 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c(=O)n(C4CC4)c3)nc12.
What is the InChIKey of 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is XKVLRQXKAYTQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-15-10-13(11-26(21(15)28)14-6-7-14)18-17(12-4-2-1-3-5-12)25-20-19(24-18)16(27)8-9-23-20/h1-5,8-11,14H,6-7H2,(H,23,25,27).
What are the key properties of 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 390.83 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).