1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea

C15H16N6O7S2 — CID 139595628

IUPAC1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C15H16N6O7S2/c1-3-29(24,25)12-13(21-7-5-4-6-9(21)16-12)30(26,27)20-15(23)19-14-17-10(22)8-11(18-14)28-2/h4-8H,3H2,1-2H3,(H3,17,18,19,20,22,23)
InChIKeyJQPIURRDGIDVOP-UHFFFAOYSA-N
MW456.46 g/mol
LogP-0.27
Rot. Bonds6

About 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea

1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 139595628) has the molecular formula C15H16N6O7S2 and a molecular weight of 456.46 g/mol. Its IUPAC name is 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID139595628
Molecular FormulaC15H16N6O7S2
Molecular Weight456.46 g/mol
Exact Mass456.05
IUPAC Name1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C15H16N6O7S2/c1-3-29(24,25)12-13(21-7-5-4-6-9(21)16-12)30(26,27)20-15(23)19-14-17-10(22)8-11(18-14)28-2/h4-8H,3H2,1-2H3,(H3,17,18,19,20,22,23)
InChIKeyJQPIURRDGIDVOP-UHFFFAOYSA-N
XLogP-0.27
TPSA181.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea (CID 139595628) is 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea is CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(=O)[nH]1.
What is the InChIKey of 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is JQPIURRDGIDVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O7S2/c1-3-29(24,25)12-13(21-7-5-4-6-9(21)16-12)30(26,27)20-15(23)19-14-17-10(22)8-11(18-14)28-2/h4-8H,3H2,1-2H3,(H3,17,18,19,20,22,23).
What are the key properties of 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea?
1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 456.46 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 139595628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).