(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone

C17H22F2N4O2 — CID 131652611

IUPAC(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H22F2N4O2/c18-17(19)4-8-23(15(24)13-2-1-9-25-13)12-16(17)3-7-22(11-16)14-10-20-5-6-21-14/h5-6,10,13H,1-4,7-9,11-12H2/t13-,16?/m1/s1
InChIKeyADLSKCBHTXLJEG-JBZHPUCOSA-N
MW352.39 g/mol
LogP1.72
Rot. Bonds2

About (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone

(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone (PubChem CID 131652611) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone
PubChem CID131652611
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H22F2N4O2/c18-17(19)4-8-23(15(24)13-2-1-9-25-13)12-16(17)3-7-22(11-16)14-10-20-5-6-21-14/h5-6,10,13H,1-4,7-9,11-12H2/t13-,16?/m1/s1
InChIKeyADLSKCBHTXLJEG-JBZHPUCOSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(oxolan-2-yl)methanone
CID 127023631
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023630
[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502462
[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502463
(2S,3aR,7aR)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131683561
(2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131686720
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2S)-oxolan-2-yl]methanone
CID 133137539
Oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42909611
[4-(Oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 55589685
9-(3-Imidazol-1-ylpropyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70715009
9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70783915
9-[6-(Dimethylamino)pyrazin-2-yl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72883170

Frequently Asked Questions

What is the IUPAC name of (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone (CID 131652611) is (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone?
The InChIKey is ADLSKCBHTXLJEG-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c18-17(19)4-8-23(15(24)13-2-1-9-25-13)12-16(17)3-7-22(11-16)14-10-20-5-6-21-14/h5-6,10,13H,1-4,7-9,11-12H2/t13-,16?/m1/s1.
What are the key properties of (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone?
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 131652611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).