(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone

C16H18F2N6O — CID 118742703

IUPAC(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C16H18F2N6O/c17-16(18)2-6-24(14(25)12-7-20-11-22-12)10-15(16)1-5-23(9-15)13-8-19-3-4-21-13/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,20,22)
InChIKeyDDORKQOMEVKZKT-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.58
Rot. Bonds2

About (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone

(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone (PubChem CID 118742703) has the molecular formula C16H18F2N6O and a molecular weight of 348.36 g/mol. Its IUPAC name is (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
PubChem CID118742703
Molecular FormulaC16H18F2N6O
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C16H18F2N6O/c17-16(18)2-6-24(14(25)12-7-20-11-22-12)10-15(16)1-5-23(9-15)13-8-19-3-4-21-13/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,20,22)
InChIKeyDDORKQOMEVKZKT-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-imidazol-5-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612757
[6-(2,9-Diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56752138
3-[6-(Pyrrolidin-1-ylcarbonyl)pyrazin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 56879099
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72043991
1H-imidazol-5-yl-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 72141976
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
CID 118742709
(5S)-7-(cyclohexylmethyl)-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 28077373
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-imidazol-5-yl)methanone
CID 92435592
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742702
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742708
[2-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]-[(3S)-3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone
CID 171359471
N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen
CID 166481517

Frequently Asked Questions

What is the IUPAC name of (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone?
The IUPAC name of (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone (CID 118742703) is (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone?
The canonical SMILES for (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)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)-(1H-imidazol-5-yl)methanone?
The InChIKey is DDORKQOMEVKZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O/c17-16(18)2-6-24(14(25)12-7-20-11-22-12)10-15(16)1-5-23(9-15)13-8-19-3-4-21-13/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,20,22).
What are the key properties of (10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone?
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone has a molecular weight of 348.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 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)-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 118742703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).