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

C19H19F3N4O2S — CID 135368449

IUPAC2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(OC2(C)COC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H19F3N4O2S/c1-4-29-14-5-11(28-18(2)9-27-10-18)7-24-16(14)17-25-12-6-15(19(20,21)22)23-8-13(12)26(17)3/h5-8H,4,9-10H2,1-3H3
InChIKeyXJWVBNPECGOSLU-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.33
Rot. Bonds5

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

2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135368449) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135368449
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(OC2(C)COC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H19F3N4O2S/c1-4-29-14-5-11(28-18(2)9-27-10-18)7-24-16(14)17-25-12-6-15(19(20,21)22)23-8-13(12)26(17)3/h5-8H,4,9-10H2,1-3H3
InChIKeyXJWVBNPECGOSLU-UHFFFAOYSA-N
XLogP4.33
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

US20240254114, Example 71
CID 171655453
3-(6-Methoxypyridin-3-yl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine
CID 53251452
3-(6-Methoxypyridin-3-yl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine
CID 53251453
2-[3-(2-Ethoxyethoxy)pyridin-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600647
3-Methyl-2-[3-(2-methylsulfanylethoxy)pyridin-4-yl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 68093614
2-[5-(Difluoromethoxy)-3-ethylsulfanyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117781020
2-[5-(Difluoromethoxy)-3-ethylsulfonyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117814335
2-(3-Ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
CID 118584490
2-[3-Ethylsulfonyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121283764
2-[3-Ethylsulfonyl-5-(trifluoromethyl)pyridin-2-yl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121291603
2-[3-Ethylsulfonyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4-prop-2-enoxy-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121291610
4-Ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121291690

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135368449) is 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1cc(OC2(C)COC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is XJWVBNPECGOSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-4-29-14-5-11(28-18(2)9-27-10-18)7-24-16(14)17-25-12-6-15(19(20,21)22)23-8-13(12)26(17)3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 424.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).