[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C26H29N3O4 — CID 67534144

IUPAC[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CC5CC4CC5O)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C26H29N3O4/c30-24-14-21-12-20(24)16-29(21)6-5-22-13-19-11-17(2-4-25(19)33-22)23-3-1-18(15-27-23)26(31)28-7-9-32-10-8-28/h1-4,11,13,15,20-21,24,30H,5-10,12,14,16H2
InChIKeyOFYAWKGUVLTSKB-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.96
Rot. Bonds5

About [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 67534144) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID67534144
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CC5CC4CC5O)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C26H29N3O4/c30-24-14-21-12-20(24)16-29(21)6-5-22-13-19-11-17(2-4-25(19)33-22)23-3-1-18(15-27-23)26(31)28-7-9-32-10-8-28/h1-4,11,13,15,20-21,24,30H,5-10,12,14,16H2
InChIKeyOFYAWKGUVLTSKB-UHFFFAOYSA-N
XLogP2.96
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 70142559
[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 10002279
[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 22274541
[4-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10048448
[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10201388
2-[5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl methanesulfonate
CID 22274531
[4-[2-[2-[ethyl(propyl)amino]ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10136940
1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 86709433
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
CID 5104728
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide
CID 123870429
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040

Frequently Asked Questions

What is the IUPAC name of [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [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) is [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3oc(CCN4CC5CC4CC5O)cc3c2)nc1)N1CCOCC1.
What is the InChIKey of [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is OFYAWKGUVLTSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-24-14-21-12-20(24)16-29(21)6-5-22-13-19-11-17(2-4-25(19)33-22)23-3-1-18(15-27-23)26(31)28-7-9-32-10-8-28/h1-4,11,13,15,20-21,24,30H,5-10,12,14,16H2.
What are the key properties of [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 447.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67534144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).