1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one

C26H23FN2O2 — CID 149328724

IUPAC1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one
SMILESO=C(CCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C26H23FN2O2/c27-11-2-5-24(30)22-3-1-4-23-21(22)9-13-29(23)26-17-19(8-12-28-26)15-18-6-7-25-20(16-18)10-14-31-25/h1,3-4,6-8,10,12,14,16-17H,2,5,9,11,13,15H2
InChIKeyYBXANRGNAMYJIZ-UHFFFAOYSA-N
MW414.48 g/mol
LogP6.05
Rot. Bonds7

About 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one

1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one (PubChem CID 149328724) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one.

Molecular Properties

Compound Name1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one
PubChem CID149328724
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one
SMILESO=C(CCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C26H23FN2O2/c27-11-2-5-24(30)22-3-1-4-23-21(22)9-13-29(23)26-17-19(8-12-28-26)15-18-6-7-25-20(16-18)10-14-31-25/h1,3-4,6-8,10,12,14,16-17H,2,5,9,11,13,15H2
InChIKeyYBXANRGNAMYJIZ-UHFFFAOYSA-N
XLogP6.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one with MolForge

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Related Compounds

(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 11315033
3-(2,3-Dihydro-benzofuran-5-yl)-2-pyridin-2-yl-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11280474
4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
3-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}furo[3,2-c]pyridin-4-amine
CID 66561011
1-[4-(1-Benzofuran-5-yl)pyridin-2-yl]piperazine
CID 155920137
5-[3-(2-Aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine
CID 44532129
(1S,4S)-2-(5-(benzofuran-5-yl)pyridin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890952
6-(1-Furo[3,2-c]pyridin-4-yl-4-methyl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione
CID 155537335
5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine
CID 73386761
5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653419
1-[4-(1-Benzofuran-2-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653447
1-[4-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653452

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one?
The IUPAC name of 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one (CID 149328724) is 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one.
What is the SMILES notation for 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one?
The canonical SMILES for 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one is O=C(CCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1.
What is the InChIKey of 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one?
The InChIKey is YBXANRGNAMYJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c27-11-2-5-24(30)22-3-1-4-23-21(22)9-13-29(23)26-17-19(8-12-28-26)15-18-6-7-25-20(16-18)10-14-31-25/h1,3-4,6-8,10,12,14,16-17H,2,5,9,11,13,15H2.
What are the key properties of 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one?
1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one has a molecular weight of 414.48 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one is sourced from PubChem (CID 149328724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).