carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile

C16H17N3O4S — CID 159417840

IUPACcarbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile
SMILESCCc1nc2cc(C3(C#N)CC3)ccn2c1S(=O)(=O)CC.O=C=O
InChIInChI=1S/C15H17N3O2S.CO2/c1-3-12-14(21(19,20)4-2)18-8-5-11(9-13(18)17-12)15(10-16)6-7-15;2-1-3/h5,8-9H,3-4,6-7H2,1-2H3;
InChIKeyLPJRQQMWLVTIMK-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.66
Rot. Bonds4

About carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile

carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile (PubChem CID 159417840) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecarbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile
PubChem CID159417840
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Namecarbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile
SMILESCCc1nc2cc(C3(C#N)CC3)ccn2c1S(=O)(=O)CC.O=C=O
InChIInChI=1S/C15H17N3O2S.CO2/c1-3-12-14(21(19,20)4-2)18-8-5-11(9-13(18)17-12)15(10-16)6-7-15;2-1-3/h5,8-9H,3-4,6-7H2,1-2H3;
InChIKeyLPJRQQMWLVTIMK-UHFFFAOYSA-N
XLogP1.66
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile?
The IUPAC name of carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile (CID 159417840) is carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile is CCc1nc2cc(C3(C#N)CC3)ccn2c1S(=O)(=O)CC.O=C=O.
What is the InChIKey of carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile?
The InChIKey is LPJRQQMWLVTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.CO2/c1-3-12-14(21(19,20)4-2)18-8-5-11(9-13(18)17-12)15(10-16)6-7-15;2-1-3/h5,8-9H,3-4,6-7H2,1-2H3;.
What are the key properties of carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile?
carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile has a molecular weight of 347.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 159417840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).