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

C20H25FN4O — CID 176681847

IUPAC2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)c(C2CC2)nc2ccc(F)cn12
InChIInChI=1S/C20H25FN4O/c21-15-5-6-17-23-18(14-3-4-14)16(19(26)25(17)11-15)12-24-10-9-22-13-20(24)7-1-2-8-20/h5-6,11,14,22H,1-4,7-10,12-13H2
InChIKeyQBIHIIWCYKBYFA-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.43
Rot. Bonds3

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

2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681847) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID176681847
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)c(C2CC2)nc2ccc(F)cn12
InChIInChI=1S/C20H25FN4O/c21-15-5-6-17-23-18(14-3-4-14)16(19(26)25(17)11-15)12-24-10-9-22-13-20(24)7-1-2-8-20/h5-6,11,14,22H,1-4,7-10,12-13H2
InChIKeyQBIHIIWCYKBYFA-UHFFFAOYSA-N
XLogP2.43
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
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
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681889
7-Fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054684
2-(Piperidin-3-ylmethyl)-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054688
7-Fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
8-Fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054733
2-(Piperidin-3-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054737
8-Fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054739

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 176681847) is 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCC3)c(C2CC2)nc2ccc(F)cn12.
What is the InChIKey of 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QBIHIIWCYKBYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-15-5-6-17-23-18(14-3-4-14)16(19(26)25(17)11-15)12-24-10-9-22-13-20(24)7-1-2-8-20/h5-6,11,14,22H,1-4,7-10,12-13H2.
What are the key properties of 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 356.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).