[(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone

C18H24FN3O3 — CID 98777308

IUPAC[(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CC[C@@H]2[C@@H](CO[C@H]2CN2CCOCC2)C1
InChIInChI=1S/C18H24FN3O3/c19-16-9-20-3-1-15(16)18(23)22-4-2-14-13(10-22)12-25-17(14)11-21-5-7-24-8-6-21/h1,3,9,13-14,17H,2,4-8,10-12H2/t13-,14-,17+/m1/s1
InChIKeyYGVYLVYSPBDTAE-CPUCHLNUSA-N
MW349.41 g/mol
LogP1.03
Rot. Bonds3

About [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone

[(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 98777308) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID98777308
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name[(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CC[C@@H]2[C@@H](CO[C@H]2CN2CCOCC2)C1
InChIInChI=1S/C18H24FN3O3/c19-16-9-20-3-1-15(16)18(23)22-4-2-14-13(10-22)12-25-17(14)11-21-5-7-24-8-6-21/h1,3,9,13-14,17H,2,4-8,10-12H2/t13-,14-,17+/m1/s1
InChIKeyYGVYLVYSPBDTAE-CPUCHLNUSA-N
XLogP1.03
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114801323
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
1-[(4aR,8aR)-6-(3-fluoropyridine-4-carbonyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]ethanone
CID 124799959
[(4aS,8aS)-4-methylsulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluoro-4-pyridinyl)methanone
CID 98896074
[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97459952
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone (CID 98777308) is [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1CC[C@@H]2[C@@H](CO[C@H]2CN2CCOCC2)C1.
What is the InChIKey of [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is YGVYLVYSPBDTAE-CPUCHLNUSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-16-9-20-3-1-15(16)18(23)22-4-2-14-13(10-22)12-25-17(14)11-21-5-7-24-8-6-21/h1,3,9,13-14,17H,2,4-8,10-12H2/t13-,14-,17+/m1/s1.
What are the key properties of [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone?
[(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 349.41 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,7aR)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 98777308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).