(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane

C19H26N4O2 — CID 124809470

IUPAC(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)n1cc(CN2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-15(2)23-12-16(9-21-23)11-22-13-19(14-22)8-17(5-7-24-19)25-18-4-3-6-20-10-18/h3-4,6,9-10,12,15,17H,5,7-8,11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyWZSIILSCSRKEOC-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.67
Rot. Bonds5

About (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124809470) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124809470
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)n1cc(CN2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-15(2)23-12-16(9-21-23)11-22-13-19(14-22)8-17(5-7-24-19)25-18-4-3-6-20-10-18/h3-4,6,9-10,12,15,17H,5,7-8,11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyWZSIILSCSRKEOC-KRWDZBQOSA-N
XLogP2.67
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 133140271
(8R)-8-pyridin-3-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827142
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815514
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815516
2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131657327
(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797999
2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131653298
8-ethoxy-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131646131
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124791257
(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131660860
1,3-oxazol-4-yl-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131648731
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805402

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124809470) is (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane is CC(C)n1cc(CN2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)cn1.
What is the InChIKey of (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is WZSIILSCSRKEOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(2)23-12-16(9-21-23)11-22-13-19(14-22)8-17(5-7-24-19)25-18-4-3-6-20-10-18/h3-4,6,9-10,12,15,17H,5,7-8,11,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 342.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124809470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).