[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C24H25N3O4 — CID 70142559

IUPAC[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCC=C4O)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H25N3O4/c28-23-2-1-8-26(23)9-7-20-15-19-14-17(4-6-22(19)31-20)21-5-3-18(16-25-21)24(29)27-10-12-30-13-11-27/h2-6,14-16,28H,1,7-13H2
InChIKeyRRWWIPRFCOAZFQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.61
Rot. Bonds5

About [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 70142559) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID70142559
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCC=C4O)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H25N3O4/c28-23-2-1-8-26(23)9-7-20-15-19-14-17(4-6-22(19)31-20)21-5-3-18(16-25-21)24(29)27-10-12-30-13-11-27/h2-6,14-16,28H,1,7-13H2
InChIKeyRRWWIPRFCOAZFQ-UHFFFAOYSA-N
XLogP3.61
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.61
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-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
2-[5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl methanesulfonate
CID 22274531
[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10201388
[4-[2-[2-[ethyl(propyl)amino]ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10136940
[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 10002279
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
CID 5104728
[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 137335621
3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide
CID 123870429
1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 86709433
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732

Frequently Asked Questions

What is the IUPAC name of [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 70142559) is [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3oc(CCN4CCC=C4O)cc3c2)nc1)N1CCOCC1.
What is the InChIKey of [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is RRWWIPRFCOAZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-23-2-1-8-26(23)9-7-20-15-19-14-17(4-6-22(19)31-20)21-5-3-18(16-25-21)24(29)27-10-12-30-13-11-27/h2-6,14-16,28H,1,7-13H2.
What are the key properties of [6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 419.48 g/mol, XLogP of 3.61, 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-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70142559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).