2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C24H20F3N5S — CID 130251165

IUPAC2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1ccc(-c2cn(C)c3ccccc23)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C24H20F3N5S/c1-4-33-20-10-9-16(15-13-31(2)18-8-6-5-7-14(15)18)29-22(20)23-30-17-11-21(24(25,26)27)28-12-19(17)32(23)3/h5-13H,4H2,1-3H3
InChIKeyRCADYGBCZBCCDL-UHFFFAOYSA-N
MW467.52 g/mol
LogP6.32
Rot. Bonds4

About 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130251165) has the molecular formula C24H20F3N5S and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130251165
Molecular FormulaC24H20F3N5S
Molecular Weight467.52 g/mol
Exact Mass467.14
IUPAC Name2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1ccc(-c2cn(C)c3ccccc23)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C24H20F3N5S/c1-4-33-20-10-9-16(15-13-31(2)18-8-6-5-7-14(15)18)29-22(20)23-30-17-11-21(24(25,26)27)28-12-19(17)32(23)3/h5-13H,4H2,1-3H3
InChIKeyRCADYGBCZBCCDL-UHFFFAOYSA-N
XLogP6.32
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130251165) is 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1ccc(-c2cn(C)c3ccccc23)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is RCADYGBCZBCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5S/c1-4-33-20-10-9-16(15-13-31(2)18-8-6-5-7-14(15)18)29-22(20)23-30-17-11-21(24(25,26)27)28-12-19(17)32(23)3/h5-13H,4H2,1-3H3.
What are the key properties of 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 467.52 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanyl-6-(1-methylindol-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130251165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).