cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C18H23FN4O — CID 97450304

IUPACcyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C18H23FN4O/c19-15-10-20-17(21-11-15)23-8-3-6-18(13-23)7-9-22(12-18)16(24)14-4-1-2-5-14/h1-2,10-11,14H,3-9,12-13H2/t18-/m0/s1
InChIKeyQVGYMZBJIHOOIG-SFHVURJKSA-N
MW330.41 g/mol
LogP2.40
Rot. Bonds2

About cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97450304) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID97450304
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Namecyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C18H23FN4O/c19-15-10-20-17(21-11-15)23-8-3-6-18(13-23)7-9-22(12-18)16(24)14-4-1-2-5-14/h1-2,10-11,14H,3-9,12-13H2/t18-/m0/s1
InChIKeyQVGYMZBJIHOOIG-SFHVURJKSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.40
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

(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
2-(dimethylamino)-1-[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 134080137
[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 134080134
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69492776
2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482392
[(1S,2R)-2-fluorocyclopropyl]-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131690615
2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone
CID 131653455
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
7-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 131648835
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 97450304) is cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(C1CC=CC1)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is QVGYMZBJIHOOIG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-15-10-20-17(21-11-15)23-8-3-6-18(13-23)7-9-22(12-18)16(24)14-4-1-2-5-14/h1-2,10-11,14H,3-9,12-13H2/t18-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.40, 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-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97450304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).