cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C17H22N4O2 — CID 97486398

IUPACcyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(C1CC=CC1)N1CC[C@]2(C[C@H](Nc3cnccn3)CO2)C1
InChIInChI=1S/C17H22N4O2/c22-16(13-3-1-2-4-13)21-8-5-17(12-21)9-14(11-23-17)20-15-10-18-6-7-19-15/h1-2,6-7,10,13-14H,3-5,8-9,11-12H2,(H,19,20)/t14-,17-/m0/s1
InChIKeyFLGGFBXUYHILPA-YOEHRIQHSA-N
MW314.39 g/mol
LogP1.61
Rot. Bonds3

About cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97486398) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID97486398
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namecyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(C1CC=CC1)N1CC[C@]2(C[C@H](Nc3cnccn3)CO2)C1
InChIInChI=1S/C17H22N4O2/c22-16(13-3-1-2-4-13)21-8-5-17(12-21)9-14(11-23-17)20-15-10-18-6-7-19-15/h1-2,6-7,10,13-14H,3-5,8-9,11-12H2,(H,19,20)/t14-,17-/m0/s1
InChIKeyFLGGFBXUYHILPA-YOEHRIQHSA-N
XLogP1.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methylcyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688422
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688428
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124521928
(1-fluorocyclobutyl)-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131686187
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486079
N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131639657
(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98813283
9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155869467
[(3S,5R)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97371127

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97486398) is cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C(C1CC=CC1)N1CC[C@]2(C[C@H](Nc3cnccn3)CO2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is FLGGFBXUYHILPA-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16(13-3-1-2-4-13)21-8-5-17(12-21)9-14(11-23-17)20-15-10-18-6-7-19-15/h1-2,6-7,10,13-14H,3-5,8-9,11-12H2,(H,19,20)/t14-,17-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97486398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).