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

C23H20N6O4 — CID 90665743

IUPAC4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C23H20N6O4/c1-13-9-26-20(11-24-13)28-22(30)15-7-18-16(6-14(2)32-18)19(8-15)33-21-12-25-17(10-27-21)23(31)29-4-3-5-29/h6-12H,3-5H2,1-2H3,(H,26,28,30)
InChIKeyKKWQRPLWHQDIIZ-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.52
Rot. Bonds5

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

4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide (PubChem CID 90665743) has the molecular formula C23H20N6O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
PubChem CID90665743
Molecular FormulaC23H20N6O4
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Name4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C23H20N6O4/c1-13-9-26-20(11-24-13)28-22(30)15-7-18-16(6-14(2)32-18)19(8-15)33-21-12-25-17(10-27-21)23(31)29-4-3-5-29/h6-12H,3-5H2,1-2H3,(H,26,28,30)
InChIKeyKKWQRPLWHQDIIZ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide (CID 90665743) is 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)cn3)c3cc(C)oc3c2)cn1.
What is the InChIKey of 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
The InChIKey is KKWQRPLWHQDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4/c1-13-9-26-20(11-24-13)28-22(30)15-7-18-16(6-14(2)32-18)19(8-15)33-21-12-25-17(10-27-21)23(31)29-4-3-5-29/h6-12H,3-5H2,1-2H3,(H,26,28,30).
What are the key properties of 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 90665743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).