7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

C25H25N5O2 — CID 154656653

IUPAC7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCC(C)n1cc(-c2nc3c(=O)c(C4CN(C)C4)c[nH]c3nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H25N5O2/c1-15(2)30-14-17(9-10-20(30)31)22-21(16-7-5-4-6-8-16)28-25-23(27-22)24(32)19(11-26-25)18-12-29(3)13-18/h4-11,14-15,18H,12-13H2,1-3H3,(H,26,28,32)
InChIKeyGMZUIRJBDZSVRC-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.42
Rot. Bonds4

About 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656653) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656653
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCC(C)n1cc(-c2nc3c(=O)c(C4CN(C)C4)c[nH]c3nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H25N5O2/c1-15(2)30-14-17(9-10-20(30)31)22-21(16-7-5-4-6-8-16)28-25-23(27-22)24(32)19(11-26-25)18-12-29(3)13-18/h4-11,14-15,18H,12-13H2,1-3H3,(H,26,28,32)
InChIKeyGMZUIRJBDZSVRC-UHFFFAOYSA-N
XLogP3.42
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656653) is 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is CC(C)n1cc(-c2nc3c(=O)c(C4CN(C)C4)c[nH]c3nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is GMZUIRJBDZSVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15(2)30-14-17(9-10-20(30)31)22-21(16-7-5-4-6-8-16)28-25-23(27-22)24(32)19(11-26-25)18-12-29(3)13-18/h4-11,14-15,18H,12-13H2,1-3H3,(H,26,28,32).
What are the key properties of 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 427.51 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).