[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone

C19H22N4O3 — CID 97423047

IUPAC[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C19H22N4O3/c24-18(17-5-8-20-14-22-17)23-9-3-6-19(13-23)10-16(12-26-19)25-11-15-4-1-2-7-21-15/h1-2,4-5,7-8,14,16H,3,6,9-13H2/t16-,19+/m1/s1
InChIKeyZXCQFLOQGFYWLT-APWZRJJASA-N
MW354.41 g/mol
LogP1.85
Rot. Bonds4

About [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone

[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone (PubChem CID 97423047) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
PubChem CID97423047
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C19H22N4O3/c24-18(17-5-8-20-14-22-17)23-9-3-6-19(13-23)10-16(12-26-19)25-11-15-4-1-2-7-21-15/h1-2,4-5,7-8,14,16H,3,6,9-13H2/t16-,19+/m1/s1
InChIKeyZXCQFLOQGFYWLT-APWZRJJASA-N
XLogP1.85
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone 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 [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone (CID 97423047) is [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
The InChIKey is ZXCQFLOQGFYWLT-APWZRJJASA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(17-5-8-20-14-22-17)23-9-3-6-19(13-23)10-16(12-26-19)25-11-15-4-1-2-7-21-15/h1-2,4-5,7-8,14,16H,3,6,9-13H2/t16-,19+/m1/s1.
What are the key properties of [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone has a molecular weight of 354.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 97423047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).