2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

C18H24N4OS — CID 133140271

IUPAC2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESCC(C)n1cc(CN2CC3(CC(Oc4cccnc4)CS3)C2)cn1
InChIInChI=1S/C18H24N4OS/c1-14(2)22-10-15(7-20-22)9-21-12-18(13-21)6-17(11-24-18)23-16-4-3-5-19-8-16/h3-5,7-8,10,14,17H,6,9,11-13H2,1-2H3
InChIKeyPSMOYJQAXKLQJT-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.00
Rot. Bonds5

About 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (PubChem CID 133140271) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
PubChem CID133140271
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESCC(C)n1cc(CN2CC3(CC(Oc4cccnc4)CS3)C2)cn1
InChIInChI=1S/C18H24N4OS/c1-14(2)22-10-15(7-20-22)9-21-12-18(13-21)6-17(11-24-18)23-16-4-3-5-19-8-16/h3-5,7-8,10,14,17H,6,9,11-13H2,1-2H3
InChIKeyPSMOYJQAXKLQJT-UHFFFAOYSA-N
XLogP3.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane with MolForge

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Related Compounds

(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 124805015
2-(pyridin-4-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677717
(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124809470
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131663105
(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124799097
(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124810447
2-[(1-ethylpyrazol-4-yl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 133140804
7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
CID 133140244
2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131662162
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
7-pyridin-3-yloxy-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155824411

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (CID 133140271) is 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is CC(C)n1cc(CN2CC3(CC(Oc4cccnc4)CS3)C2)cn1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The InChIKey is PSMOYJQAXKLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(2)22-10-15(7-20-22)9-21-12-18(13-21)6-17(11-24-18)23-16-4-3-5-19-8-16/h3-5,7-8,10,14,17H,6,9,11-13H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane has a molecular weight of 344.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 133140271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).