7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C18H21FN4O — CID 176681567

IUPAC7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(Cc2cnc3ccc(F)cn3c2=O)C2(CC=CC2)C1
InChIInChI=1S/C18H21FN4O/c1-21-8-9-22(18(13-21)6-2-3-7-18)11-14-10-20-16-5-4-15(19)12-23(16)17(14)24/h2-5,10,12H,6-9,11,13H2,1H3
InChIKeyFRDRMPCOPXKXIR-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.67
Rot. Bonds2

About 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681567) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID176681567
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(Cc2cnc3ccc(F)cn3c2=O)C2(CC=CC2)C1
InChIInChI=1S/C18H21FN4O/c1-21-8-9-22(18(13-21)6-2-3-7-18)11-14-10-20-16-5-4-15(19)12-23(16)17(14)24/h2-5,10,12H,6-9,11,13H2,1H3
InChIKeyFRDRMPCOPXKXIR-UHFFFAOYSA-N
XLogP1.67
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-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 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 176681567) is 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CN1CCN(Cc2cnc3ccc(F)cn3c2=O)C2(CC=CC2)C1.
What is the InChIKey of 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FRDRMPCOPXKXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-21-8-9-22(18(13-21)6-2-3-7-18)11-14-10-20-16-5-4-15(19)12-23(16)17(14)24/h2-5,10,12H,6-9,11,13H2,1H3.
What are the key properties of 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]dec-2-en-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).