N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide

C26H17FN6O2 — CID 137430647

IUPACN-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide
SMILESCc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(NC(=O)c4ccc(F)cc4)c3c2)o1
InChIInChI=1S/C26H17FN6O2/c1-14-2-9-22(35-14)24-23(31-21(13-28)25(29)33-24)16-5-8-19-18(12-16)20(10-11-30-19)32-26(34)15-3-6-17(27)7-4-15/h2-12H,1H3,(H2,29,33)(H,30,32,34)
InChIKeyLBWJHJLGEIPCEM-UHFFFAOYSA-N
MW464.46 g/mol
LogP5.11
Rot. Bonds4

About N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide

N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide (PubChem CID 137430647) has the molecular formula C26H17FN6O2 and a molecular weight of 464.46 g/mol. Its IUPAC name is N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide
PubChem CID137430647
Molecular FormulaC26H17FN6O2
Molecular Weight464.46 g/mol
Exact Mass464.14
IUPAC NameN-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide
SMILESCc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(NC(=O)c4ccc(F)cc4)c3c2)o1
InChIInChI=1S/C26H17FN6O2/c1-14-2-9-22(35-14)24-23(31-21(13-28)25(29)33-24)16-5-8-19-18(12-16)20(10-11-30-19)32-26(34)15-3-6-17(27)7-4-15/h2-12H,1H3,(H2,29,33)(H,30,32,34)
InChIKeyLBWJHJLGEIPCEM-UHFFFAOYSA-N
XLogP5.11
TPSA130.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide (CID 137430647) is N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide is Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(NC(=O)c4ccc(F)cc4)c3c2)o1.
What is the InChIKey of N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide?
The InChIKey is LBWJHJLGEIPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN6O2/c1-14-2-9-22(35-14)24-23(31-21(13-28)25(29)33-24)16-5-8-19-18(12-16)20(10-11-30-19)32-26(34)15-3-6-17(27)7-4-15/h2-12H,1H3,(H2,29,33)(H,30,32,34).
What are the key properties of N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide?
N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide has a molecular weight of 464.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 137430647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).