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

C19H21F3N4OS — CID 135368168

IUPAC2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(OC(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H21F3N4OS/c1-6-28-14-7-11(27-18(2,3)4)9-24-16(14)17-25-12-8-15(19(20,21)22)23-10-13(12)26(17)5/h7-10H,6H2,1-5H3
InChIKeyCZEHXOUXOCTJFV-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.34
Rot. Bonds4

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

2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135368168) has the molecular formula C19H21F3N4OS and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135368168
Molecular FormulaC19H21F3N4OS
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC Name2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(OC(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H21F3N4OS/c1-6-28-14-7-11(27-18(2,3)4)9-24-16(14)17-25-12-8-15(19(20,21)22)23-10-13(12)26(17)5/h7-10H,6H2,1-5H3
InChIKeyCZEHXOUXOCTJFV-UHFFFAOYSA-N
XLogP5.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135368168) is 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1cc(OC(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is CZEHXOUXOCTJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4OS/c1-6-28-14-7-11(27-18(2,3)4)9-24-16(14)17-25-12-8-15(19(20,21)22)23-10-13(12)26(17)5/h7-10H,6H2,1-5H3.
What are the key properties of 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 410.47 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135368168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).