3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one

C24H15N5O2S — CID 154657635

IUPAC3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4nccs4)cc3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H15N5O2S/c1-13-4-7-19(31-13)21-20(15-5-6-17-14(11-15)3-2-8-25-17)27-18-12-16(24-26-9-10-32-24)23(30)29-22(18)28-21/h2-12H,1H3,(H,28,29,30)
InChIKeyFNRKOAVUKKAWJI-UHFFFAOYSA-N
MW437.48 g/mol
LogP5.23
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one

3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154657635) has the molecular formula C24H15N5O2S and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154657635
Molecular FormulaC24H15N5O2S
Molecular Weight437.48 g/mol
Exact Mass437.09
IUPAC Name3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4nccs4)cc3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H15N5O2S/c1-13-4-7-19(31-13)21-20(15-5-6-17-14(11-15)3-2-8-25-17)27-18-12-16(24-26-9-10-32-24)23(30)29-22(18)28-21/h2-12H,1H3,(H,28,29,30)
InChIKeyFNRKOAVUKKAWJI-UHFFFAOYSA-N
XLogP5.23
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one (CID 154657635) is 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one is Cc1ccc(-c2nc3[nH]c(=O)c(-c4nccs4)cc3nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is FNRKOAVUKKAWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O2S/c1-13-4-7-19(31-13)21-20(15-5-6-17-14(11-15)3-2-8-25-17)27-18-12-16(24-26-9-10-32-24)23(30)29-22(18)28-21/h2-12H,1H3,(H,28,29,30).
What are the key properties of 3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one?
3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 437.48 g/mol, XLogP of 5.23, 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)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154657635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).