1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid

C23H18N2O3 — CID 122653411

IUPAC1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C23H18N2O3/c26-23(27)19-2-1-3-20-18(19)7-10-25(20)22-14-16(6-9-24-22)12-15-4-5-21-17(13-15)8-11-28-21/h1-6,8-9,11,13-14H,7,10,12H2,(H,26,27)
InChIKeyFVEZEHCZWNUWPL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.81
Rot. Bonds4

About 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid

1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid (PubChem CID 122653411) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
PubChem CID122653411
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C23H18N2O3/c26-23(27)19-2-1-3-20-18(19)7-10-25(20)22-14-16(6-9-24-22)12-15-4-5-21-17(13-15)8-11-28-21/h1-6,8-9,11,13-14H,7,10,12H2,(H,26,27)
InChIKeyFVEZEHCZWNUWPL-UHFFFAOYSA-N
XLogP4.81
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid?
The IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid (CID 122653411) is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid.
What is the SMILES notation for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid?
The canonical SMILES for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid is O=C(O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1.
What is the InChIKey of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid?
The InChIKey is FVEZEHCZWNUWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-23(27)19-2-1-3-20-18(19)7-10-25(20)22-14-16(6-9-24-22)12-15-4-5-21-17(13-15)8-11-28-21/h1-6,8-9,11,13-14H,7,10,12H2,(H,26,27).
What are the key properties of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid?
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid is sourced from PubChem (CID 122653411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).