2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one

C22H27FN2O3 — CID 163887272

IUPAC2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCc1nc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)ccc1F
InChIInChI=1S/C22H27FN2O3/c1-14-17(23)2-3-18(24-14)15-8-21(9-15)4-6-25(7-5-21)20(27)16-10-22(11-16)12-19(26)28-13-22/h2-3,15-16H,4-13H2,1H3
InChIKeyPYLRPQYJWCMYJX-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.36
Rot. Bonds2

About 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one

2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (PubChem CID 163887272) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
PubChem CID163887272
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCc1nc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)ccc1F
InChIInChI=1S/C22H27FN2O3/c1-14-17(23)2-3-18(24-14)15-8-21(9-15)4-6-25(7-5-21)20(27)16-10-22(11-16)12-19(26)28-13-22/h2-3,15-16H,4-13H2,1H3
InChIKeyPYLRPQYJWCMYJX-UHFFFAOYSA-N
XLogP3.36
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one with MolForge

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Related Compounds

2-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163475194
2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163672628
2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163411888
2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649
2-[4-(4-methylsulfanylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167665472
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167615221
2-[2-(6-tert-butyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163954486
2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163971145
2-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167710242
2-[4-[4-methoxy-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167645136
2-[(3R,4R)-4-(4-tert-butylphenyl)-3-methylpiperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167671336
2-[(3R,4R)-3-methyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167706662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The IUPAC name of 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (CID 163887272) is 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The canonical SMILES for 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is Cc1nc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)ccc1F.
What is the InChIKey of 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The InChIKey is PYLRPQYJWCMYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-14-17(23)2-3-18(24-14)15-8-21(9-15)4-6-25(7-5-21)20(27)16-10-22(11-16)12-19(26)28-13-22/h2-3,15-16H,4-13H2,1H3.
What are the key properties of 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one has a molecular weight of 386.47 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is sourced from PubChem (CID 163887272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).