6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

C17H24F2N4O — CID 131651354

IUPAC6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(C2CCOCC2)CC12CCN(c1cnccn1)C2
InChIInChI=1S/C17H24F2N4O/c18-17(19)4-8-22(14-1-9-24-10-2-14)12-16(17)3-7-23(13-16)15-11-20-5-6-21-15/h5-6,11,14H,1-4,7-10,12-13H2
InChIKeyXAWKGLFMOKJTOH-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.19
Rot. Bonds2

About 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 131651354) has the molecular formula C17H24F2N4O and a molecular weight of 338.40 g/mol. Its IUPAC name is 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID131651354
Molecular FormulaC17H24F2N4O
Molecular Weight338.40 g/mol
Exact Mass338.19
IUPAC Name6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(C2CCOCC2)CC12CCN(c1cnccn1)C2
InChIInChI=1S/C17H24F2N4O/c18-17(19)4-8-22(14-1-9-24-10-2-14)12-16(17)3-7-23(13-16)15-11-20-5-6-21-15/h5-6,11,14H,1-4,7-10,12-13H2
InChIKeyXAWKGLFMOKJTOH-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,6-Difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol
CID 118744565
(5S)-6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502460
(5R)-6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502461
2-[(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 97502530
2-[(5R)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 97502531
6,6-Difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155857013
N,N-dimethyl-6-(2-oxa-7-azaspiro[4.5]dec-7-yl)pyrazin-2-amine
CID 72940173
(5S)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970895
(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653209
(5R)-2-(oxan-4-yl)-9-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 141145679
2-(2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72858882
(5R)-7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118179

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (CID 131651354) is 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is FC1(F)CCN(C2CCOCC2)CC12CCN(c1cnccn1)C2.
What is the InChIKey of 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is XAWKGLFMOKJTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O/c18-17(19)4-8-22(14-1-9-24-10-2-14)12-16(17)3-7-23(13-16)15-11-20-5-6-21-15/h5-6,11,14H,1-4,7-10,12-13H2.
What are the key properties of 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 338.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131651354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).