furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

C17H20N4O2 — CID 97493640

IUPACfuran-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-15(14-4-1-13-23-14)20-11-6-17(7-12-20)5-2-10-21(17)16-18-8-3-9-19-16/h1,3-4,8-9,13H,2,5-7,10-12H2
InChIKeyUDQPPWIGEXHOHG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds2

About furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 97493640) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID97493640
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namefuran-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-15(14-4-1-13-23-14)20-11-6-17(7-12-20)5-2-10-21(17)16-18-8-3-9-19-16/h1,3-4,8-9,13H,2,5-7,10-12H2
InChIKeyUDQPPWIGEXHOHG-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 95043516
pyridin-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843116
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155842296
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3233080
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97493598
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
(5R)-9-(furan-2-carbonyl)-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360392

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 97493640) is furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is O=C(c1ccco1)N1CCC2(CCCN2c2ncccn2)CC1.
What is the InChIKey of furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is UDQPPWIGEXHOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15(14-4-1-13-23-14)20-11-6-17(7-12-20)5-2-10-21(17)16-18-8-3-9-19-16/h1,3-4,8-9,13H,2,5-7,10-12H2.
What are the key properties of furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 97493640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).