2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C19H25N3O2 — CID 135096803

IUPAC2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC[C@@]4(CCC[C@H]4O)C3)cc(=O)n2c1
InChIInChI=1S/C19H25N3O2/c1-14-5-6-17-20-15(10-18(24)22(17)11-14)12-21-9-3-8-19(13-21)7-2-4-16(19)23/h5-6,10-11,16,23H,2-4,7-9,12-13H2,1H3/t16-,19+/m1/s1
InChIKeyUDUCYVGRYVJPOJ-APWZRJJASA-N
MW327.43 g/mol
LogP2.13
Rot. Bonds2

About 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135096803) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135096803
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC[C@@]4(CCC[C@H]4O)C3)cc(=O)n2c1
InChIInChI=1S/C19H25N3O2/c1-14-5-6-17-20-15(10-18(24)22(17)11-14)12-21-9-3-8-19(13-21)7-2-4-16(19)23/h5-6,10-11,16,23H,2-4,7-9,12-13H2,1H3/t16-,19+/m1/s1
InChIKeyUDUCYVGRYVJPOJ-APWZRJJASA-N
XLogP2.13
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 135096803) is 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCC[C@@]4(CCC[C@H]4O)C3)cc(=O)n2c1.
What is the InChIKey of 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UDUCYVGRYVJPOJ-APWZRJJASA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-5-6-17-20-15(10-18(24)22(17)11-14)12-21-9-3-8-19(13-21)7-2-4-16(19)23/h5-6,10-11,16,23H,2-4,7-9,12-13H2,1H3/t16-,19+/m1/s1.
What are the key properties of 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135096803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).