4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

C16H18ClN5O3S — CID 129001409

IUPAC4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc(C2CN(S(=O)(=O)c3c(Cl)nc4ccccn34)CCO2)cn1
InChIInChI=1S/C16H18ClN5O3S/c1-2-20-10-12(9-18-20)13-11-21(7-8-25-13)26(23,24)16-15(17)19-14-5-3-4-6-22(14)16/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyOFHOBNUYRPOWCO-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.97
Rot. Bonds4

About 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 129001409) has the molecular formula C16H18ClN5O3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID129001409
Molecular FormulaC16H18ClN5O3S
Molecular Weight395.87 g/mol
Exact Mass395.08
IUPAC Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc(C2CN(S(=O)(=O)c3c(Cl)nc4ccccn34)CCO2)cn1
InChIInChI=1S/C16H18ClN5O3S/c1-2-20-10-12(9-18-20)13-11-21(7-8-25-13)26(23,24)16-15(17)19-14-5-3-4-6-22(14)16/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyOFHOBNUYRPOWCO-UHFFFAOYSA-N
XLogP1.97
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (CID 129001409) is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is CCn1cc(C2CN(S(=O)(=O)c3c(Cl)nc4ccccn34)CCO2)cn1.
What is the InChIKey of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is OFHOBNUYRPOWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3S/c1-2-20-10-12(9-18-20)13-11-21(7-8-25-13)26(23,24)16-15(17)19-14-5-3-4-6-22(14)16/h3-6,9-10,13H,2,7-8,11H2,1H3.
What are the key properties of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 395.87 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 129001409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).