[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H17F2N3O2 — CID 120929256

IUPAC[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1c1ncccc1F)N1CCOCC1
InChIInChI=1S/C14H17F2N3O2/c15-10-8-12(14(20)18-4-6-21-7-5-18)19(9-10)13-11(16)2-1-3-17-13/h1-3,10,12H,4-9H2/t10-,12+/m1/s1
InChIKeyBUVMDJBTOCKZRI-PWSUYJOCSA-N
MW297.30 g/mol
LogP1.00
Rot. Bonds2

About [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929256) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929256
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC Name[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1c1ncccc1F)N1CCOCC1
InChIInChI=1S/C14H17F2N3O2/c15-10-8-12(14(20)18-4-6-21-7-5-18)19(9-10)13-11(16)2-1-3-17-13/h1-3,10,12H,4-9H2/t10-,12+/m1/s1
InChIKeyBUVMDJBTOCKZRI-PWSUYJOCSA-N
XLogP1.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyridinyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970509
2-[2-(3-Fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72793650
1-(4-Fluorophenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2839784
1-Methyl-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2840252
1-Propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 5100671
Morpholin-4-yl 4-(2-pyridyl)piperazinyl ketone
CID 752010
1-(2-Fluorophenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2877346
8-[2-(Dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 13342084
1-(4-(2-Pyridyl)piperazinyl)pentan-1-one
CID 17217518
Butanamide, N-(1-methyl-2-(1-piperidinyl)ethyl)-N-2-pyridinyl-
CID 41025
Propanamide, N-(1-methyl-2-(4-morpholinyl)ethyl)-N-2-pyridinyl-
CID 3041498
Propanamide, N-(1-methyl-2-(1-pyrrolidinyl)ethyl)-N-2-pyridinyl-
CID 3041531

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929256) is [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@@H](F)CN1c1ncccc1F)N1CCOCC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BUVMDJBTOCKZRI-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-10-8-12(14(20)18-4-6-21-7-5-18)19(9-10)13-11(16)2-1-3-17-13/h1-3,10,12H,4-9H2/t10-,12+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 297.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).