1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C12H12FN3O3S — CID 168715001

IUPAC1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ccc2nccn2c1
InChIInChI=1S/C12H12FN3O3S/c13-20(18,19)10-5-12(17)16(8-10)7-9-1-2-11-14-3-4-15(11)6-9/h1-4,6,10H,5,7-8H2
InChIKeyHNYIRCBOPUGLQY-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.73
Rot. Bonds3

About 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715001) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715001
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ccc2nccn2c1
InChIInChI=1S/C12H12FN3O3S/c13-20(18,19)10-5-12(17)16(8-10)7-9-1-2-11-14-3-4-15(11)6-9/h1-4,6,10H,5,7-8H2
InChIKeyHNYIRCBOPUGLQY-UHFFFAOYSA-N
XLogP0.73
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715001) is 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1Cc1ccc2nccn2c1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HNYIRCBOPUGLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c13-20(18,19)10-5-12(17)16(8-10)7-9-1-2-11-14-3-4-15(11)6-9/h1-4,6,10H,5,7-8H2.
What are the key properties of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 297.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).