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

C24H27N3O4 — CID 22274513

IUPAC[6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-20-5-7-26(16-20)8-6-21-14-19-13-17(2-4-23(19)31-21)22-3-1-18(15-25-22)24(29)27-9-11-30-12-10-27/h1-4,13-15,20,28H,5-12,16H2
InChIKeyOPORWMPRRDKQPR-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.58
Rot. Bonds5

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

[6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 22274513) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID22274513
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-20-5-7-26(16-20)8-6-21-14-19-13-17(2-4-23(19)31-21)22-3-1-18(15-25-22)24(29)27-9-11-30-12-10-27/h1-4,13-15,20,28H,5-12,16H2
InChIKeyOPORWMPRRDKQPR-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 44374493
1-((6-(5-Cyclohexylbenzofuran-2-yl)pyridin-3-yl)methyl)azetidine-3-carboxylic acid
CID 16737509
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274469
4-{[6-(2-{2-[1-Azepanyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 22274472
4-[(6-{2-[2-(1-Pyrrolidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274481
4-[(6-{2-[2-(4-Morpholinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274699
6-(2-(3-(4-Phenoxyphenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylic acid
CID 24800865
(6-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyridin-3-yl)-morpholin-4-yl-methanone
CID 44374695
(6-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-ethyl]-benzofuran-5-yl}-pyridin-3-yl)-morpholin-4-yl-methanone
CID 44374769
3-[[[(1R)-1-(5-methylfuran-2-yl)propyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288253
1-(Dibenzo[b,d]furan-2-ylmethyl)-6-(2,4-dimethoxypyridin-3-yl)piperidin-2-one
CID 69085151

Frequently Asked Questions

What is the IUPAC name of [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 22274513) is [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)nc1)N1CCOCC1.
What is the InChIKey of [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is OPORWMPRRDKQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-20-5-7-26(16-20)8-6-21-14-19-13-17(2-4-23(19)31-21)22-3-1-18(15-25-22)24(29)27-9-11-30-12-10-27/h1-4,13-15,20,28H,5-12,16H2.
What are the key properties of [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 421.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22274513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).