cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone

C18H22F2N4O — CID 134077540

IUPACcyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C18H22F2N4O/c19-18(20)6-10-24(16(25)14-3-1-2-4-14)13-17(18)5-9-23(12-17)15-11-21-7-8-22-15/h1-2,7-8,11,14H,3-6,9-10,12-13H2
InChIKeyMPSHGDJODPNGGG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.51
Rot. Bonds2

About cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone

cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (PubChem CID 134077540) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
PubChem CID134077540
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Namecyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C18H22F2N4O/c19-18(20)6-10-24(16(25)14-3-1-2-4-14)13-17(18)5-9-23(12-17)15-11-21-7-8-22-15/h1-2,7-8,11,14H,3-6,9-10,12-13H2
InChIKeyMPSHGDJODPNGGG-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 131638562
1-(10,10-Difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile
CID 134077539
cyclopropyl-[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502436
cyclopropyl-[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502437
cyclobutyl-[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502466
cyclobutyl-[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502467
2-cyclopropyl-1-[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97502468
2-cyclopropyl-1-[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97502469
Cyclobutyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 131648324
2-Cyclopropyl-1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 131657487
1-(10,10-Difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone
CID 134077896
Cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788600

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (CID 134077540) is cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is O=C(C1CC=CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The InChIKey is MPSHGDJODPNGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c19-18(20)6-10-24(16(25)14-3-1-2-4-14)13-17(18)5-9-23(12-17)15-11-21-7-8-22-15/h1-2,7-8,11,14H,3-6,9-10,12-13H2.
What are the key properties of cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is sourced from PubChem (CID 134077540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).