6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile

C29H20ClN7O2 — CID 154657532

IUPAC6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(NC(C)c4cccc(C#N)n4)c3nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C29H20ClN7O2/c1-15-8-9-23(39-15)28-26(18-11-17-5-4-10-32-25(17)20(30)12-18)36-27-22(13-24(38)35-29(27)37-28)33-16(2)21-7-3-6-19(14-31)34-21/h3-13,16H,1-2H3,(H2,33,35,37,38)
InChIKeyLKMPIVSNRXJJDZ-UHFFFAOYSA-N
MW533.98 g/mol
LogP6.19
Rot. Bonds5

About 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile

6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile (PubChem CID 154657532) has the molecular formula C29H20ClN7O2 and a molecular weight of 533.98 g/mol. Its IUPAC name is 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile
PubChem CID154657532
Molecular FormulaC29H20ClN7O2
Molecular Weight533.98 g/mol
Exact Mass533.14
IUPAC Name6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(NC(C)c4cccc(C#N)n4)c3nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C29H20ClN7O2/c1-15-8-9-23(39-15)28-26(18-11-17-5-4-10-32-25(17)20(30)12-18)36-27-22(13-24(38)35-29(27)37-28)33-16(2)21-7-3-6-19(14-31)34-21/h3-13,16H,1-2H3,(H2,33,35,37,38)
InChIKeyLKMPIVSNRXJJDZ-UHFFFAOYSA-N
XLogP6.19
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.98
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

US11685745, Example 311
CID 137416661
N-[5-(3-chloro-4-fluorophenyl)-6-(furan-2-yl)pyrazin-2-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 172438318
2-N-[(4-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
CID 137430209
2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
CID 137430211
N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide
CID 137430647
3-Amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 137430648
3-Amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 158004215
3-Amino-6-[4-[2-(4-fluorophenyl)-2-oxoethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 160127650
[5-Chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone
CID 23725915
5-chloro-3-[[5-[6-[methyl-(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]furan-2-yl]methylidene]-1H-indol-2-one
CID 66772402
(2S)-1-N-[8-[5-(aminomethyl)furan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 90098895
(2R)-1-N-[8-[5-(aminomethyl)furan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 90098896

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile (CID 154657532) is 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile is Cc1ccc(-c2nc3[nH]c(=O)cc(NC(C)c4cccc(C#N)n4)c3nc2-c2cc(Cl)c3ncccc3c2)o1.
What is the InChIKey of 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile?
The InChIKey is LKMPIVSNRXJJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClN7O2/c1-15-8-9-23(39-15)28-26(18-11-17-5-4-10-32-25(17)20(30)12-18)36-27-22(13-24(38)35-29(27)37-28)33-16(2)21-7-3-6-19(14-31)34-21/h3-13,16H,1-2H3,(H2,33,35,37,38).
What are the key properties of 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile?
6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile has a molecular weight of 533.98 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl]amino]ethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 154657532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).