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

C16H20F2N4O — CID 131638562

IUPACcyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(C1CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C16H20F2N4O/c17-16(18)4-8-22(14(23)12-1-2-12)11-15(16)3-7-21(10-15)13-9-19-5-6-20-13/h5-6,9,12H,1-4,7-8,10-11H2
InChIKeyKDILBLIXTBXYLA-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.95
Rot. Bonds2

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

cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (PubChem CID 131638562) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
PubChem CID131638562
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC Namecyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(C1CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C16H20F2N4O/c17-16(18)4-8-22(14(23)12-1-2-12)11-15(16)3-7-21(10-15)13-9-19-5-6-20-13/h5-6,9,12H,1-4,7-8,10-11H2
InChIKeyKDILBLIXTBXYLA-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone with MolForge

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Related Compounds

2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
Cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 95042953
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
CID 97402611
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one
CID 97508725
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97508727
Cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742287
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 127023070
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 127023071
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone;2,2,2-trifluoroacetic acid
CID 127023809

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The IUPAC name of cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (CID 131638562) is cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.
What is the SMILES notation for cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The canonical SMILES for cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is O=C(C1CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The InChIKey is KDILBLIXTBXYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c17-16(18)4-8-22(14(23)12-1-2-12)11-15(16)3-7-21(10-15)13-9-19-5-6-20-13/h5-6,9,12H,1-4,7-8,10-11H2.
What are the key properties of cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone has a molecular weight of 322.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is sourced from PubChem (CID 131638562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).