[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone

C17H17FN4O3 — CID 124554489

IUPAC[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F
InChIInChI=1S/C17H17FN4O3/c18-12-2-1-6-19-16(12)25-15-13-3-4-14(15)24-9-8-22(13)17(23)11-5-7-20-21-10-11/h1-2,5-7,10,13-15H,3-4,8-9H2/t13-,14-,15-/m0/s1
InChIKeyDEPGHBDXTZUJRS-KKUMJFAQSA-N
MW344.35 g/mol
LogP1.46
Rot. Bonds3

About [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone

[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone (PubChem CID 124554489) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone
PubChem CID124554489
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F
InChIInChI=1S/C17H17FN4O3/c18-12-2-1-6-19-16(12)25-15-13-3-4-14(15)24-9-8-22(13)17(23)11-5-7-20-21-10-11/h1-2,5-7,10,13-15H,3-4,8-9H2/t13-,14-,15-/m0/s1
InChIKeyDEPGHBDXTZUJRS-KKUMJFAQSA-N
XLogP1.46
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(furan-3-yl)methanone
CID 131647886
[(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
[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(furan-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155834839
[(1S,6S,9R)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylfuran-2-yl)methanone
CID 98812428
[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(1,3-thiazol-4-yl)methanone
CID 124554497
2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155834838
1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-3-methoxypropan-1-one;2,2,2-trifluoroacetic acid
CID 155824886
(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-5-methylsulfonyl-2-oxa-5-azabicyclo[4.2.1]nonane
CID 124784027
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
9-[(3-fluoro-2-pyridinyl)oxy]-5-(pyridin-3-ylmethyl)-2-oxa-5-azabicyclo[4.2.1]nonane
CID 131641159
9-[(3-fluoro-2-pyridinyl)oxy]-N,N-dimethyl-2-oxa-5-azabicyclo[4.2.1]nonane-5-sulfonamide;2,2,2-trifluoroacetic acid
CID 155855709
5-ethylsulfonyl-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonane;2,2,2-trifluoroacetic acid
CID 155827318

Frequently Asked Questions

What is the IUPAC name of [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone (CID 124554489) is [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F.
What is the InChIKey of [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone?
The InChIKey is DEPGHBDXTZUJRS-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-12-2-1-6-19-16(12)25-15-13-3-4-14(15)24-9-8-22(13)17(23)11-5-7-20-21-10-11/h1-2,5-7,10,13-15H,3-4,8-9H2/t13-,14-,15-/m0/s1.
What are the key properties of [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone?
[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone has a molecular weight of 344.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 124554489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).