(5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one

C15H21FN4O2 — CID 124789018

IUPAC(5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@@]2(CN(c3ncc(F)cn3)C[C@@H]2C)C1=O
InChIInChI=1S/C15H21FN4O2/c1-11-9-20(14-17-7-12(16)8-18-14)10-15(11)3-4-19(13(15)21)5-6-22-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-,15-/m0/s1
InChIKeyBSYMCBAPXPWFSO-NHYWBVRUSA-N
MW308.36 g/mol
LogP0.94
Rot. Bonds4

About (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124789018) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124789018
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@@]2(CN(c3ncc(F)cn3)C[C@@H]2C)C1=O
InChIInChI=1S/C15H21FN4O2/c1-11-9-20(14-17-7-12(16)8-18-14)10-15(11)3-4-19(13(15)21)5-6-22-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-,15-/m0/s1
InChIKeyBSYMCBAPXPWFSO-NHYWBVRUSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (CID 124789018) is (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CC[C@@]2(CN(c3ncc(F)cn3)C[C@@H]2C)C1=O.
What is the InChIKey of (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is BSYMCBAPXPWFSO-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-11-9-20(14-17-7-12(16)8-18-14)10-15(11)3-4-19(13(15)21)5-6-22-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-,15-/m0/s1.
What are the key properties of (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 308.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124789018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).