3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide

C23H19N3O3 — CID 126462892

IUPAC3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
SMILESO=C1CC(C(=O)NCC2Cc3cccc(-c4cnccn4)c3O2)c2ccccc21
InChIInChI=1S/C23H19N3O3/c27-21-11-19(16-5-1-2-6-17(16)21)23(28)26-12-15-10-14-4-3-7-18(22(14)29-15)20-13-24-8-9-25-20/h1-9,13,15,19H,10-12H2,(H,26,28)
InChIKeyYRCWFWPAEHLEJV-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.93
Rot. Bonds4

About 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide

3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide (PubChem CID 126462892) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
PubChem CID126462892
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
SMILESO=C1CC(C(=O)NCC2Cc3cccc(-c4cnccn4)c3O2)c2ccccc21
InChIInChI=1S/C23H19N3O3/c27-21-11-19(16-5-1-2-6-17(16)21)23(28)26-12-15-10-14-4-3-7-18(22(14)29-15)20-13-24-8-9-25-20/h1-9,13,15,19H,10-12H2,(H,26,28)
InChIKeyYRCWFWPAEHLEJV-UHFFFAOYSA-N
XLogP2.93
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide?
The IUPAC name of 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide (CID 126462892) is 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide is O=C1CC(C(=O)NCC2Cc3cccc(-c4cnccn4)c3O2)c2ccccc21.
What is the InChIKey of 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide?
The InChIKey is YRCWFWPAEHLEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21-11-19(16-5-1-2-6-17(16)21)23(28)26-12-15-10-14-4-3-7-18(22(14)29-15)20-13-24-8-9-25-20/h1-9,13,15,19H,10-12H2,(H,26,28).
What are the key properties of 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide?
3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 126462892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).