3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C17H19N3O5 — CID 70715275

IUPAC3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C17H19N3O5/c21-11-2-1-5-20-14(11)18-9-10(16(20)25)15(24)19-6-3-17(4-7-19)12(22)8-13(17)23/h1-2,5,9,12-13,21-23H,3-4,6-8H2/t12-,13+
InChIKeySHXCPQIWJVKLGF-BETUJISGSA-N
MW345.36 g/mol
LogP-0.25
Rot. Bonds1

About 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 70715275) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID70715275
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C17H19N3O5/c21-11-2-1-5-20-14(11)18-9-10(16(20)25)15(24)19-6-3-17(4-7-19)12(22)8-13(17)23/h1-2,5,9,12-13,21-23H,3-4,6-8H2/t12-,13+
InChIKeySHXCPQIWJVKLGF-BETUJISGSA-N
XLogP-0.25
TPSA115.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 70715275) is 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(O)cccn2c1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SHXCPQIWJVKLGF-BETUJISGSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-11-2-1-5-20-14(11)18-9-10(16(20)25)15(24)19-6-3-17(4-7-19)12(22)8-13(17)23/h1-2,5,9,12-13,21-23H,3-4,6-8H2/t12-,13+.
What are the key properties of 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 345.36 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70715275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).