3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one

C23H28N4O2 — CID 10126595

IUPAC3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C23H28N4O2/c1-2-19(26-12-10-23(16-26)9-11-24-15-23)20-25-21-18(8-13-29-21)22(28)27(20)14-17-6-4-3-5-7-17/h3-8,13,19,24H,2,9-12,14-16H2,1H3
InChIKeyIFSURGFPIGUSDX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.17
Rot. Bonds5

About 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one

3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one (PubChem CID 10126595) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one
PubChem CID10126595
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C23H28N4O2/c1-2-19(26-12-10-23(16-26)9-11-24-15-23)20-25-21-18(8-13-29-21)22(28)27(20)14-17-6-4-3-5-7-17/h3-8,13,19,24H,2,9-12,14-16H2,1H3
InChIKeyIFSURGFPIGUSDX-UHFFFAOYSA-N
XLogP3.17
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one
CID 10288591
6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10194350
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10238423
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
N-[1-(3-benzyl-4-oxofuro[2,3-d]pyrimidin-2-yl)propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide
CID 10239605
2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102849402
3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10310462
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one (CID 10126595) is 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one is CCC(c1nc2occc2c(=O)n1Cc1ccccc1)N1CCC2(CCNC2)C1.
What is the InChIKey of 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one?
The InChIKey is IFSURGFPIGUSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-19(26-12-10-23(16-26)9-11-24-15-23)20-25-21-18(8-13-29-21)22(28)27(20)14-17-6-4-3-5-7-17/h3-8,13,19,24H,2,9-12,14-16H2,1H3.
What are the key properties of 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one?
3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one has a molecular weight of 392.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10126595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).