1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide

C26H24FN3O3 — CID 122653486

IUPAC1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NC[C@@H](F)CO)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C26H24FN3O3/c27-20(16-31)15-29-26(32)22-2-1-3-23-21(22)7-10-30(23)25-14-18(6-9-28-25)12-17-4-5-24-19(13-17)8-11-33-24/h1-6,8-9,11,13-14,20,31H,7,10,12,15-16H2,(H,29,32)/t20-/m1/s1
InChIKeyJMESTURVACZHII-HXUWFJFHSA-N
MW445.49 g/mol
LogP4.17
Rot. Bonds7

About 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide

1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653486) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653486
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NC[C@@H](F)CO)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C26H24FN3O3/c27-20(16-31)15-29-26(32)22-2-1-3-23-21(22)7-10-30(23)25-14-18(6-9-28-25)12-17-4-5-24-19(13-17)8-11-33-24/h1-6,8-9,11,13-14,20,31H,7,10,12,15-16H2,(H,29,32)/t20-/m1/s1
InChIKeyJMESTURVACZHII-HXUWFJFHSA-N
XLogP4.17
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide (CID 122653486) is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide is O=C(NC[C@@H](F)CO)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1.
What is the InChIKey of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is JMESTURVACZHII-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24FN3O3/c27-20(16-31)15-29-26(32)22-2-1-3-23-21(22)7-10-30(23)25-14-18(6-9-28-25)12-17-4-5-24-19(13-17)8-11-33-24/h1-6,8-9,11,13-14,20,31H,7,10,12,15-16H2,(H,29,32)/t20-/m1/s1.
What are the key properties of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide?
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-2-fluoro-3-hydroxypropyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).