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

C17H22F2N4O — CID 131648324

IUPACcyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(C1CCC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H22F2N4O/c18-17(19)5-9-23(15(24)13-2-1-3-13)12-16(17)4-8-22(11-16)14-10-20-6-7-21-14/h6-7,10,13H,1-5,8-9,11-12H2
InChIKeyAXMKPYRHYDTCAG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.34
Rot. Bonds2

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

cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (PubChem CID 131648324) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
PubChem CID131648324
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Namecyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(C1CCC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H22F2N4O/c18-17(19)5-9-23(15(24)13-2-1-3-13)12-16(17)4-8-22(11-16)14-10-20-6-7-21-14/h6-7,10,13H,1-5,8-9,11-12H2
InChIKeyAXMKPYRHYDTCAG-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The IUPAC name of cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (CID 131648324) is cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.
What is the SMILES notation for cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The canonical SMILES for cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is O=C(C1CCC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The InChIKey is AXMKPYRHYDTCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c18-17(19)5-9-23(15(24)13-2-1-3-13)12-16(17)4-8-22(11-16)14-10-20-6-7-21-14/h6-7,10,13H,1-5,8-9,11-12H2.
What are the key properties of cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is sourced from PubChem (CID 131648324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).