(3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid

C22H22F4N2O4 — CID 155826996

IUPAC(3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccc(F)c1)N1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C20H21FN2O2.C2HF3O2/c21-16-4-1-3-15(11-16)19(24)23-9-6-20(7-10-23)12-18(13-20)25-17-5-2-8-22-14-17;3-2(4,5)1(6)7/h1-5,8,11,14,18H,6-7,9-10,12-13H2;(H,6,7)
InChIKeyQCSXVOKARCGOQY-UHFFFAOYSA-N
MW454.42 g/mol
LogP4.32
Rot. Bonds3

About (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid

(3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155826996) has the molecular formula C22H22F4N2O4 and a molecular weight of 454.42 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155826996
Molecular FormulaC22H22F4N2O4
Molecular Weight454.42 g/mol
Exact Mass454.15
IUPAC Name(3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccc(F)c1)N1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C20H21FN2O2.C2HF3O2/c21-16-4-1-3-15(11-16)19(24)23-9-6-20(7-10-23)12-18(13-20)25-17-5-2-8-22-14-17;3-2(4,5)1(6)7/h1-5,8,11,14,18H,6-7,9-10,12-13H2;(H,6,7)
InChIKeyQCSXVOKARCGOQY-UHFFFAOYSA-N
XLogP4.32
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

pyridin-4-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97385687
8-(3-fluorobenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155830883
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301
(3-chlorophenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155860663
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(4-fluorophenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155859569
(2-methylfuran-3-yl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451294
(1-methylimidazol-2-yl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 118745318
(2-iodophenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 56643272
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134078359
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 56643224

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid (CID 155826996) is (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cccc(F)c1)N1CCC2(CC1)CC(Oc1cccnc1)C2.
What is the InChIKey of (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is QCSXVOKARCGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2.C2HF3O2/c21-16-4-1-3-15(11-16)19(24)23-9-6-20(7-10-23)12-18(13-20)25-17-5-2-8-22-14-17;3-2(4,5)1(6)7/h1-5,8,11,14,18H,6-7,9-10,12-13H2;(H,6,7).
What are the key properties of (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
(3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 454.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).