[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone

C16H16N4O2S — CID 124791057

IUPAC[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1
InChIInChI=1S/C16H16N4O2S/c21-15(13-4-6-17-11-19-13)20-9-16(10-20)7-12(8-23-16)22-14-3-1-2-5-18-14/h1-6,11-12H,7-10H2/t12-/m0/s1
InChIKeyFUQOWKBTRKCCDW-LBPRGKRZSA-N
MW328.40 g/mol
LogP1.65
Rot. Bonds3

About [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone

[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone (PubChem CID 124791057) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
PubChem CID124791057
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1
InChIInChI=1S/C16H16N4O2S/c21-15(13-4-6-17-11-19-13)20-9-16(10-20)7-12(8-23-16)22-14-3-1-2-5-18-14/h1-6,11-12H,7-10H2/t12-/m0/s1
InChIKeyFUQOWKBTRKCCDW-LBPRGKRZSA-N
XLogP1.65
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131652969
furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131656106
2-methyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one
CID 131692273
[(7S)-7-(pyridin-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124797108
2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131692274
(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893626
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-quinolin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155848264
[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124791489
[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124792542
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 131692142
(5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692404
(3-hydroxyphenyl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863891

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone (CID 124791057) is [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1.
What is the InChIKey of [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone?
The InChIKey is FUQOWKBTRKCCDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15(13-4-6-17-11-19-13)20-9-16(10-20)7-12(8-23-16)22-14-3-1-2-5-18-14/h1-6,11-12H,7-10H2/t12-/m0/s1.
What are the key properties of [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone?
[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone has a molecular weight of 328.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 124791057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).