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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Related Compounds

4,6-Dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 6710561
2-(4-Hydroimidazo[1,2-a]pyridin-2-ylmethylthio)-4,6-dimethylpyridine-3-carboni trile
CID 4175552
2-(8-Benzylsulfinyl-2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 21570836
2-(8-Benzylsulfanyl-2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 21570838
2-(8-Benzylsulfonyl-2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 44382454
8-(Benzenesulfinylmethyl)-2,3-dimethylimidazo[1,2-a]pyridine
CID 44382336
2-(4-Methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine
CID 164609835
7-Methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
CID 39847846
4-[(8-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]butanenitrile
CID 91652475
2-[2-Ethylsulfonyl-6-(trifluoromethyl)-3-pyridyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 117814371
1-[2-[3-Ethylsulfonyl-5-(trifluoromethyl)pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]cyclopropane-1-carbonitrile
CID 118960860
1-[5-Ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-yl]cyclopropane-1-carbonitrile
CID 121320682

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).