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

C17H22ClFN4O — CID 176681722

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(CN2CCNCC23CCCC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H21FN4O.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;/h3-4,9,11,19H,1-2,5-8,10,12H2;1H
InChIKeyGZAZTDCDXUYXKR-UHFFFAOYSA-N
MW352.84 g/mol
LogP1.97
Rot. Bonds2

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 176681722) has the molecular formula C17H22ClFN4O and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID176681722
Molecular FormulaC17H22ClFN4O
Molecular Weight352.84 g/mol
Exact Mass352.15
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(CN2CCNCC23CCCC3)cnc2ccc(F)cn12
InChIInChI=1S/C17H21FN4O.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;/h3-4,9,11,19H,1-2,5-8,10,12H2;1H
InChIKeyGZAZTDCDXUYXKR-UHFFFAOYSA-N
XLogP1.97
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 176681722) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=c1c(CN2CCNCC23CCCC3)cnc2ccc(F)cn12.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is GZAZTDCDXUYXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.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;/h3-4,9,11,19H,1-2,5-8,10,12H2;1H.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 1.97, 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]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 176681722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).