2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide

C23H20N6O4 — CID 90665746

IUPAC2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
SMILESCc1cc2c(Oc3cnc(C(=O)N4CC(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1
InChIInChI=1S/C23H20N6O4/c1-13-11-29(12-13)23(31)17-8-27-21(10-26-17)33-19-7-15(6-18-16(19)5-14(2)32-18)22(30)28-20-9-24-3-4-25-20/h3-10,13H,11-12H2,1-2H3,(H,25,28,30)
InChIKeyJTTWNMVIYAGYCK-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide

2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide (PubChem CID 90665746) has the molecular formula C23H20N6O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
PubChem CID90665746
Molecular FormulaC23H20N6O4
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Name2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
SMILESCc1cc2c(Oc3cnc(C(=O)N4CC(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1
InChIInChI=1S/C23H20N6O4/c1-13-11-29(12-13)23(31)17-8-27-21(10-26-17)33-19-7-15(6-18-16(19)5-14(2)32-18)22(30)28-20-9-24-3-4-25-20/h3-10,13H,11-12H2,1-2H3,(H,25,28,30)
InChIKeyJTTWNMVIYAGYCK-UHFFFAOYSA-N
XLogP3.46
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
The IUPAC name of 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide (CID 90665746) is 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide is Cc1cc2c(Oc3cnc(C(=O)N4CC(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1.
What is the InChIKey of 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
The InChIKey is JTTWNMVIYAGYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4/c1-13-11-29(12-13)23(31)17-8-27-21(10-26-17)33-19-7-15(6-18-16(19)5-14(2)32-18)22(30)28-20-9-24-3-4-25-20/h3-10,13H,11-12H2,1-2H3,(H,25,28,30).
What are the key properties of 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide is sourced from PubChem (CID 90665746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).