2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C19H25N3O3 — CID 97199456

IUPAC2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC4(CC3)OCCC[C@@H]4O)nc2c1
InChIInChI=1S/C19H25N3O3/c1-14-4-7-22-17(11-14)20-15(12-18(22)24)13-21-8-5-19(6-9-21)16(23)3-2-10-25-19/h4,7,11-12,16,23H,2-3,5-6,8-10,13H2,1H3/t16-/m0/s1
InChIKeyCGQIKINEDRXMRN-INIZCTEOSA-N
MW343.43 g/mol
LogP1.51
Rot. Bonds2

About 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 97199456) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID97199456
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC4(CC3)OCCC[C@@H]4O)nc2c1
InChIInChI=1S/C19H25N3O3/c1-14-4-7-22-17(11-14)20-15(12-18(22)24)13-21-8-5-19(6-9-21)16(23)3-2-10-25-19/h4,7,11-12,16,23H,2-3,5-6,8-10,13H2,1H3/t16-/m0/s1
InChIKeyCGQIKINEDRXMRN-INIZCTEOSA-N
XLogP1.51
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 97199456) is 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN3CCC4(CC3)OCCC[C@@H]4O)nc2c1.
What is the InChIKey of 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CGQIKINEDRXMRN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-4-7-22-17(11-14)20-15(12-18(22)24)13-21-8-5-19(6-9-21)16(23)3-2-10-25-19/h4,7,11-12,16,23H,2-3,5-6,8-10,13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97199456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).