2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one

C21H15ClN6O — CID 154657537

IUPAC2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cnc2c(Cl)cc(-c3nc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1
InChIInChI=1S/C21H15ClN6O/c1-11-7-12-8-13(9-14(22)17(12)24-10-11)18-19(15-4-6-28(2)27-15)26-21-20(25-18)16(29)3-5-23-21/h3-10H,1-2H3,(H,23,26,29)
InChIKeyWTGXRHKNGUILEI-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.90
Rot. Bonds2

About 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one

2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657537) has the molecular formula C21H15ClN6O and a molecular weight of 402.85 g/mol. Its IUPAC name is 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154657537
Molecular FormulaC21H15ClN6O
Molecular Weight402.85 g/mol
Exact Mass402.10
IUPAC Name2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cnc2c(Cl)cc(-c3nc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1
InChIInChI=1S/C21H15ClN6O/c1-11-7-12-8-13(9-14(22)17(12)24-10-11)18-19(15-4-6-28(2)27-15)26-21-20(25-18)16(29)3-5-23-21/h3-10H,1-2H3,(H,23,26,29)
InChIKeyWTGXRHKNGUILEI-UHFFFAOYSA-N
XLogP3.90
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657537) is 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one is Cc1cnc2c(Cl)cc(-c3nc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1.
What is the InChIKey of 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is WTGXRHKNGUILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6O/c1-11-7-12-8-13(9-14(22)17(12)24-10-11)18-19(15-4-6-28(2)27-15)26-21-20(25-18)16(29)3-5-23-21/h3-10H,1-2H3,(H,23,26,29).
What are the key properties of 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 402.85 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).