furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C17H20N4O2 — CID 3234480

IUPACfuran-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N4O2/c22-15(14-4-1-11-23-14)20-9-2-5-17(12-20)6-10-21(13-17)16-18-7-3-8-19-16/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2/t17-/m1/s1
InChIKeyPAMFMBOIUFWDDM-QGZVFWFLSA-N
MW312.37 g/mol
LogP2.20
Rot. Bonds2

About furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234480) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234480
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namefuran-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N4O2/c22-15(14-4-1-11-23-14)20-9-2-5-17(12-20)6-10-21(13-17)16-18-7-3-8-19-16/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2/t17-/m1/s1
InChIKeyPAMFMBOIUFWDDM-QGZVFWFLSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234480) is furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1ccco1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is PAMFMBOIUFWDDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15(14-4-1-11-23-14)20-9-2-5-17(12-20)6-10-21(13-17)16-18-7-3-8-19-16/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2/t17-/m1/s1.
What are the key properties of furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).