8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one

C24H29F2N5O2 — CID 172991669

IUPAC8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C2(F)COC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H29F2N5O2/c1-16-20(27-12-19(28-16)23(26)14-33-15-23)31-13-22(29-21(31)32)7-9-24(10-8-22,30(2)3)17-5-4-6-18(25)11-17/h4-6,11-12H,7-10,13-15H2,1-3H3,(H,29,32)
InChIKeyDIKCSWYNPRFEOL-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.42
Rot. Bonds4

About 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 172991669) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID172991669
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC Name8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C2(F)COC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H29F2N5O2/c1-16-20(27-12-19(28-16)23(26)14-33-15-23)31-13-22(29-21(31)32)7-9-24(10-8-22,30(2)3)17-5-4-6-18(25)11-17/h4-6,11-12H,7-10,13-15H2,1-3H3,(H,29,32)
InChIKeyDIKCSWYNPRFEOL-UHFFFAOYSA-N
XLogP3.42
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
CID 157131245
3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
CID 172991650
8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 172991670
8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130201424
8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
CID 172531825
8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201419
8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130200930
6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile
CID 130200984
3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
CID 172531787
8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200962
3-(2-chloro-4-methylpyrimidin-5-yl)-8-ethyl-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
CID 170235847
8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 130201435

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (CID 172991669) is 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is Cc1nc(C2(F)COC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DIKCSWYNPRFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-16-20(27-12-19(28-16)23(26)14-33-15-23)31-13-22(29-21(31)32)7-9-24(10-8-22,30(2)3)17-5-4-6-18(25)11-17/h4-6,11-12H,7-10,13-15H2,1-3H3,(H,29,32).
What are the key properties of 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 457.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[5-(3-fluorooxetan-3-yl)-3-methylpyrazin-2-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 172991669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).