[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

C15H16N4O2S — CID 96534927

IUPAC[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCSc1nc(C(=O)O[C@H](C)Cn2cccn2)c2ccccn12
InChIInChI=1S/C15H16N4O2S/c1-11(10-18-8-5-7-16-18)21-14(20)13-12-6-3-4-9-19(12)15(17-13)22-2/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyMQXRXECAWDOIRS-LLVKDONJSA-N
MW316.39 g/mol
LogP2.50
Rot. Bonds5

About [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 96534927) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID96534927
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCSc1nc(C(=O)O[C@H](C)Cn2cccn2)c2ccccn12
InChIInChI=1S/C15H16N4O2S/c1-11(10-18-8-5-7-16-18)21-14(20)13-12-6-3-4-9-19(12)15(17-13)22-2/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyMQXRXECAWDOIRS-LLVKDONJSA-N
XLogP2.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate (CID 96534927) is [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate is CSc1nc(C(=O)O[C@H](C)Cn2cccn2)c2ccccn12.
What is the InChIKey of [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is MQXRXECAWDOIRS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-11(10-18-8-5-7-16-18)21-14(20)13-12-6-3-4-9-19(12)15(17-13)22-2/h3-9,11H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 316.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 96534927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).