2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C19H25N3O4 — CID 164698271

IUPAC2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)nc12
InChIInChI=1S/C19H25N3O4/c1-13-3-2-6-22-17(25)9-14(20-18(13)22)11-21-7-4-19(5-8-21)10-15(23)16(24)12-26-19/h2-3,6,9,15-16,23-24H,4-5,7-8,10-12H2,1H3/t15-,16+/m1/s1
InChIKeyXIADNGJNUJDOPS-CVEARBPZSA-N
MW359.43 g/mol
LogP0.48
Rot. Bonds2

About 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 164698271) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID164698271
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)nc12
InChIInChI=1S/C19H25N3O4/c1-13-3-2-6-22-17(25)9-14(20-18(13)22)11-21-7-4-19(5-8-21)10-15(23)16(24)12-26-19/h2-3,6,9,15-16,23-24H,4-5,7-8,10-12H2,1H3/t15-,16+/m1/s1
InChIKeyXIADNGJNUJDOPS-CVEARBPZSA-N
XLogP0.48
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 164698271) is 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)nc12.
What is the InChIKey of 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XIADNGJNUJDOPS-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-3-2-6-22-17(25)9-14(20-18(13)22)11-21-7-4-19(5-8-21)10-15(23)16(24)12-26-19/h2-3,6,9,15-16,23-24H,4-5,7-8,10-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 359.43 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164698271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).