[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone

C24H27FN6O5S — CID 90692190

IUPAC[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(C(=O)C3=CC4(CCN(S(=O)(=O)c5ccc(F)cc5)CC4)ON3)CC2)cn1
InChIInChI=1S/C24H27FN6O5S/c1-17-15-27-21(16-26-17)23(33)30-12-10-29(11-13-30)22(32)20-14-24(36-28-20)6-8-31(9-7-24)37(34,35)19-4-2-18(25)3-5-19/h2-5,14-16,28H,6-13H2,1H3
InChIKeyGFKJWDIQBDYJEL-UHFFFAOYSA-N
MW530.58 g/mol
LogP0.85
Rot. Bonds4

About [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone

[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 90692190) has the molecular formula C24H27FN6O5S and a molecular weight of 530.58 g/mol. Its IUPAC name is [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID90692190
Molecular FormulaC24H27FN6O5S
Molecular Weight530.58 g/mol
Exact Mass530.17
IUPAC Name[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(C(=O)C3=CC4(CCN(S(=O)(=O)c5ccc(F)cc5)CC4)ON3)CC2)cn1
InChIInChI=1S/C24H27FN6O5S/c1-17-15-27-21(16-26-17)23(33)30-12-10-29(11-13-30)22(32)20-14-24(36-28-20)6-8-31(9-7-24)37(34,35)19-4-2-18(25)3-5-19/h2-5,14-16,28H,6-13H2,1H3
InChIKeyGFKJWDIQBDYJEL-UHFFFAOYSA-N
XLogP0.85
TPSA125.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.58
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-cycloheptylpiperazin-1-yl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]methanone
CID 91451185
8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxylic acid
CID 91119214
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
CID 7678415
(1,5-dimethylpyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78904623
2-(3,4-difluorophenyl)-1-[4-[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carbonyl]piperazin-1-yl]ethanone
CID 91550638
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 8924723
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 8924804
methyl 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 4825564
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217

Frequently Asked Questions

What is the IUPAC name of [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone (CID 90692190) is [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone is Cc1cnc(C(=O)N2CCN(C(=O)C3=CC4(CCN(S(=O)(=O)c5ccc(F)cc5)CC4)ON3)CC2)cn1.
What is the InChIKey of [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GFKJWDIQBDYJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O5S/c1-17-15-27-21(16-26-17)23(33)30-12-10-29(11-13-30)22(32)20-14-24(36-28-20)6-8-31(9-7-24)37(34,35)19-4-2-18(25)3-5-19/h2-5,14-16,28H,6-13H2,1H3.
What are the key properties of [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone?
[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 530.58 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90692190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).