[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone

C15H15FN4O2 — CID 124738553

IUPAC[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC[C@H](Oc2ncccc2F)C1
InChIInChI=1S/C15H15FN4O2/c16-13-4-1-6-17-14(13)22-12-3-2-8-20(10-12)15(21)11-5-7-18-19-9-11/h1,4-7,9,12H,2-3,8,10H2/t12-/m0/s1
InChIKeyRAGVOHOXKUTYEC-LBPRGKRZSA-N
MW302.31 g/mol
LogP1.69
Rot. Bonds3

About [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone

[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 124738553) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID124738553
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC[C@H](Oc2ncccc2F)C1
InChIInChI=1S/C15H15FN4O2/c16-13-4-1-6-17-14(13)22-12-3-2-8-20(10-12)15(21)11-5-7-18-19-9-11/h1,4-7,9,12H,2-3,8,10H2/t12-/m0/s1
InChIKeyRAGVOHOXKUTYEC-LBPRGKRZSA-N
XLogP1.69
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 128572366
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 124874061
3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
CID 122018323
[(8S)-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 124792892
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842871
[(4aR,7R,7aS)-7-[(3-fluoro-2-pyridinyl)oxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyridazin-4-ylmethanone
CID 124793765
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone
CID 124554489
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone (CID 124738553) is [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCC[C@H](Oc2ncccc2F)C1.
What is the InChIKey of [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is RAGVOHOXKUTYEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-13-4-1-6-17-14(13)22-12-3-2-8-20(10-12)15(21)11-5-7-18-19-9-11/h1,4-7,9,12H,2-3,8,10H2/t12-/m0/s1.
What are the key properties of [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone?
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 302.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 124738553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).