ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine

C23H23F3N4S — CID 142357388

IUPACethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine
SMILESCC.CCSc1cc(-c2cc(C(F)(F)F)ccn2)cnc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C21H17F3N4S.C2H6/c1-3-29-18-9-14(16-10-15(4-6-25-16)21(22,23)24)11-26-20(18)17-12-28-7-5-13(2)8-19(28)27-17;1-2/h4-12H,3H2,1-2H3;1-2H3
InChIKeyWKEBKSSZPXCFDK-UHFFFAOYSA-N
MW444.53 g/mol
LogP6.92
Rot. Bonds4

About ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine

ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 142357388) has the molecular formula C23H23F3N4S and a molecular weight of 444.53 g/mol. Its IUPAC name is ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID142357388
Molecular FormulaC23H23F3N4S
Molecular Weight444.53 g/mol
Exact Mass444.16
IUPAC Nameethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine
SMILESCC.CCSc1cc(-c2cc(C(F)(F)F)ccn2)cnc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C21H17F3N4S.C2H6/c1-3-29-18-9-14(16-10-15(4-6-25-16)21(22,23)24)11-26-20(18)17-12-28-7-5-13(2)8-19(28)27-17;1-2/h4-12H,3H2,1-2H3;1-2H3
InChIKeyWKEBKSSZPXCFDK-UHFFFAOYSA-N
XLogP6.92
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
E6Clv6G2RR
CID 16750138
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
Imidazopyridine 10e
CID 5329344
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
4-[7-(2-Dimethylamino-1,1-dimethylethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 11741968
4-[2-(2,4-Difluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 23727894
(2,4-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744104

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine (CID 142357388) is ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine is CC.CCSc1cc(-c2cc(C(F)(F)F)ccn2)cnc1-c1cn2ccc(C)cc2n1.
What is the InChIKey of ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is WKEBKSSZPXCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4S.C2H6/c1-3-29-18-9-14(16-10-15(4-6-25-16)21(22,23)24)11-26-20(18)17-12-28-7-5-13(2)8-19(28)27-17;1-2/h4-12H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine?
ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 444.53 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-ethylsulfanyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 142357388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).