3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

C14H19N5O3S — CID 100625200

IUPAC3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)c1
InChIInChI=1S/C14H19N5O3S/c1-11(2)18-9-14(15-10-18)23(20,21)19-7-5-12(8-19)22-13-4-3-6-16-17-13/h3-4,6,9-12H,5,7-8H2,1-2H3/t12-/m1/s1
InChIKeyWMXGHXPAVFTRLM-GFCCVEGCSA-N
MW337.41 g/mol
LogP1.10
Rot. Bonds5

About 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 100625200) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID100625200
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)c1
InChIInChI=1S/C14H19N5O3S/c1-11(2)18-9-14(15-10-18)23(20,21)19-7-5-12(8-19)22-13-4-3-6-16-17-13/h3-4,6,9-12H,5,7-8H2,1-2H3/t12-/m1/s1
InChIKeyWMXGHXPAVFTRLM-GFCCVEGCSA-N
XLogP1.10
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (CID 100625200) is 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)c1.
What is the InChIKey of 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is WMXGHXPAVFTRLM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-11(2)18-9-14(15-10-18)23(20,21)19-7-5-12(8-19)22-13-4-3-6-16-17-13/h3-4,6,9-12H,5,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 337.41 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 100625200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).