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

C17H21BrN4O — CID 176681649

IUPAC7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2ccc(Br)cn12
InChIInChI=1S/C17H21BrN4O/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
InChIKeyQSQIPMWVRCZFRY-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.17
Rot. Bonds2

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

7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681649) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID176681649
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2ccc(Br)cn12
InChIInChI=1S/C17H21BrN4O/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
InChIKeyQSQIPMWVRCZFRY-UHFFFAOYSA-N
XLogP2.17
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681608
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681614
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681889
3-(1,4-Diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681935
7-Fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681674
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681616
7-Chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681629
8-Chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681668
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 176681722
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)pyrimido[1,2-b]pyridazin-4-one
CID 176681745
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681765
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
CID 176681964

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 176681649) is 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCC3)cnc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QSQIPMWVRCZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/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.
What are the key properties of 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 377.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).