[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C24H27N3O4 — CID 10002279

IUPAC[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCC[C@@H]4O)cc3c2)cn1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-23-2-1-8-26(23)9-7-20-15-19-14-17(4-6-22(19)31-20)18-3-5-21(25-16-18)24(29)27-10-12-30-13-11-27/h3-6,14-16,23,28H,1-2,7-13H2/t23-/m0/s1
InChIKeyUJYLLMIZAYAXBE-QHCPKHFHSA-N
MW421.50 g/mol
LogP2.92
Rot. Bonds5

About [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 10002279) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID10002279
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCC[C@@H]4O)cc3c2)cn1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-23-2-1-8-26(23)9-7-20-15-19-14-17(4-6-22(19)31-20)18-3-5-21(25-16-18)24(29)27-10-12-30-13-11-27/h3-6,14-16,23,28H,1-2,7-13H2/t23-/m0/s1
InChIKeyUJYLLMIZAYAXBE-QHCPKHFHSA-N
XLogP2.92
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 67534144
[4-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10048448
[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 22274541
methyl 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzoate
CID 22274633
[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 70142559
[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10201388
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-2-one
CID 70002896
1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274458
2-[5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl methanesulfonate
CID 22274531
[5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 128993503
[5-[(3S)-1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 129324268
[4-[2-[2-[ethyl(propyl)amino]ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10136940

Frequently Asked Questions

What is the IUPAC name of [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 10002279) is [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3oc(CCN4CCC[C@@H]4O)cc3c2)cn1)N1CCOCC1.
What is the InChIKey of [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is UJYLLMIZAYAXBE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-23-2-1-8-26(23)9-7-20-15-19-14-17(4-6-22(19)31-20)18-3-5-21(25-16-18)24(29)27-10-12-30-13-11-27/h3-6,14-16,23,28H,1-2,7-13H2/t23-/m0/s1.
What are the key properties of [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 421.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10002279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).