3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride

C17H20ClFN4O — CID 176681652

IUPAC3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(CN2CCNCC23CC=CC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H19FN4O.ClH/c18-14-3-4-15-20-9-13(16(23)22(15)11-14)10-21-8-7-19-12-17(21)5-1-2-6-17;/h1-4,9,11,19H,5-8,10,12H2;1H
InChIKeyTZQVOSNGMJZCHT-UHFFFAOYSA-N
MW350.83 g/mol
LogP1.75
Rot. Bonds2

About 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 176681652) has the molecular formula C17H20ClFN4O and a molecular weight of 350.83 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID176681652
Molecular FormulaC17H20ClFN4O
Molecular Weight350.83 g/mol
Exact Mass350.13
IUPAC Name3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(CN2CCNCC23CC=CC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H19FN4O.ClH/c18-14-3-4-15-20-9-13(16(23)22(15)11-14)10-21-8-7-19-12-17(21)5-1-2-6-17;/h1-4,9,11,19H,5-8,10,12H2;1H
InChIKeyTZQVOSNGMJZCHT-UHFFFAOYSA-N
XLogP1.75
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 176681652) is 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=c1c(CN2CCNCC23CC=CC3)cnc2ccc(F)cn12.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is TZQVOSNGMJZCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O.ClH/c18-14-3-4-15-20-9-13(16(23)22(15)11-14)10-21-8-7-19-12-17(21)5-1-2-6-17;/h1-4,9,11,19H,5-8,10,12H2;1H.
What are the key properties of 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 350.83 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 176681652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).