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

C18H23FN4O — CID 176681889

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(F)cn2c(=O)c1CN1CCNCC12CCCC2
InChIInChI=1S/C18H23FN4O/c1-13-15(17(24)23-10-14(19)4-5-16(23)21-13)11-22-9-8-20-12-18(22)6-2-3-7-18/h4-5,10,20H,2-3,6-9,11-12H2,1H3
InChIKeyVURRPVNAHDBSNN-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.86
Rot. Bonds2

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681889) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID176681889
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(F)cn2c(=O)c1CN1CCNCC12CCCC2
InChIInChI=1S/C18H23FN4O/c1-13-15(17(24)23-10-14(19)4-5-16(23)21-13)11-22-9-8-20-12-18(22)6-2-3-7-18/h4-5,10,20H,2-3,6-9,11-12H2,1H3
InChIKeyVURRPVNAHDBSNN-UHFFFAOYSA-N
XLogP1.86
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.86
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]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681653
6-[(7-Fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbonyl chloride
CID 176681781
3-[(2,2-Dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681826
2-Cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681847
3-(1,4-Diazaspiro[5.5]undecan-1-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681935
6-[(7-Fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
CID 176681641
7-Fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681674
6-[[7-Fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
CID 176681984
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

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 176681889) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(F)cn2c(=O)c1CN1CCNCC12CCCC2.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VURRPVNAHDBSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-15(17(24)23-10-14(19)4-5-16(23)21-13)11-22-9-8-20-12-18(22)6-2-3-7-18/h4-5,10,20H,2-3,6-9,11-12H2,1H3.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 1.86, 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-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).