2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one

C22H22FN3O2 — CID 178096362

IUPAC2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
SMILESO=C(Cc1ccc(C2CC2)c(F)c1)N1CC2(CC(=O)N(c3ccccn3)C2)C1
InChIInChI=1S/C22H22FN3O2/c23-18-9-15(4-7-17(18)16-5-6-16)10-20(27)25-12-22(13-25)11-21(28)26(14-22)19-3-1-2-8-24-19/h1-4,7-9,16H,5-6,10-14H2
InChIKeyHHAZVQAWUFCJKY-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.91
Rot. Bonds4

About 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one

2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one (PubChem CID 178096362) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
PubChem CID178096362
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
SMILESO=C(Cc1ccc(C2CC2)c(F)c1)N1CC2(CC(=O)N(c3ccccn3)C2)C1
InChIInChI=1S/C22H22FN3O2/c23-18-9-15(4-7-17(18)16-5-6-16)10-20(27)25-12-22(13-25)11-21(28)26(14-22)19-3-1-2-8-24-19/h1-4,7-9,16H,5-6,10-14H2
InChIKeyHHAZVQAWUFCJKY-UHFFFAOYSA-N
XLogP2.91
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one with MolForge

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Related Compounds

2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 178096351
7-(pyridine-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131653472
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
CID 178096352
(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 97374075
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155850204
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 175905284
2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide
CID 178096379
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125
8-[(3,4-difluorophenyl)methyl]-4-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 155858188
7-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155863142
7-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171696458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one?
The IUPAC name of 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one (CID 178096362) is 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one?
The canonical SMILES for 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one is O=C(Cc1ccc(C2CC2)c(F)c1)N1CC2(CC(=O)N(c3ccccn3)C2)C1.
What is the InChIKey of 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one?
The InChIKey is HHAZVQAWUFCJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-18-9-15(4-7-17(18)16-5-6-16)10-20(27)25-12-22(13-25)11-21(28)26(14-22)19-3-1-2-8-24-19/h1-4,7-9,16H,5-6,10-14H2.
What are the key properties of 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one?
2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one has a molecular weight of 379.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one is sourced from PubChem (CID 178096362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).