furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

C19H23N3O3 — CID 97471088

IUPACfuran-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1
InChIInChI=1S/C19H23N3O3/c23-19(18-2-1-11-25-18)22-8-5-16(21-9-12-24-13-10-21)17(22)14-15-3-6-20-7-4-15/h1-4,6-7,11,16-17H,5,8-10,12-14H2/t16-,17+/m1/s1
InChIKeyKUAKXVNVISJOPS-SJORKVTESA-N
MW341.41 g/mol
LogP1.83
Rot. Bonds4

About furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 97471088) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID97471088
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namefuran-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1
InChIInChI=1S/C19H23N3O3/c23-19(18-2-1-11-25-18)22-8-5-16(21-9-12-24-13-10-21)17(22)14-15-3-6-20-7-4-15/h1-4,6-7,11,16-17H,5,8-10,12-14H2/t16-,17+/m1/s1
InChIKeyKUAKXVNVISJOPS-SJORKVTESA-N
XLogP1.83
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97384312
furan-2-yl-[(2R,3S)-3-morpholin-4-yl-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124787611
furan-2-yl-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125215138
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 124806862
N-[(2S,3R)-1-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97471100
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124792962
4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine
CID 97471082
[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97470905
[(4aS,7S,7aR)-7-(pyridin-4-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(furan-2-yl)methanone
CID 97388261
[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(furan-2-yl)methanone
CID 97459000
[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97471026
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 102787065

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 97471088) is furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1.
What is the InChIKey of furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KUAKXVNVISJOPS-SJORKVTESA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(18-2-1-11-25-18)22-8-5-16(21-9-12-24-13-10-21)17(22)14-15-3-6-20-7-4-15/h1-4,6-7,11,16-17H,5,8-10,12-14H2/t16-,17+/m1/s1.
What are the key properties of furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97471088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).