3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one

C25H16N6O2 — CID 154656764

IUPAC3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ccc(-c2nc3[nH]cc(-c4cncnc4)c(=O)c3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C25H16N6O2/c1-14-4-7-20(33-14)22-21(16-5-6-19-15(9-16)3-2-8-28-19)30-23-24(32)18(12-29-25(23)31-22)17-10-26-13-27-11-17/h2-13H,1H3,(H,29,31,32)
InChIKeyHJSBLNUWFHGALI-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.56
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one

3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656764) has the molecular formula C25H16N6O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656764
Molecular FormulaC25H16N6O2
Molecular Weight432.44 g/mol
Exact Mass432.13
IUPAC Name3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ccc(-c2nc3[nH]cc(-c4cncnc4)c(=O)c3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C25H16N6O2/c1-14-4-7-20(33-14)22-21(16-5-6-19-15(9-16)3-2-8-28-19)30-23-24(32)18(12-29-25(23)31-22)17-10-26-13-27-11-17/h2-13H,1H3,(H,29,31,32)
InChIKeyHJSBLNUWFHGALI-UHFFFAOYSA-N
XLogP4.56
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656764) is 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one is Cc1ccc(-c2nc3[nH]cc(-c4cncnc4)c(=O)c3nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is HJSBLNUWFHGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O2/c1-14-4-7-20(33-14)22-21(16-5-6-19-15(9-16)3-2-8-28-19)30-23-24(32)18(12-29-25(23)31-22)17-10-26-13-27-11-17/h2-13H,1H3,(H,29,31,32).
What are the key properties of 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 432.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).