6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine

C38H38F6N8O4S2 — CID 159253461

IUPAC6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
SMILESCCS(=O)(=O)c1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2.CCSc1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2
InChIInChI=1S/C19H19F3N4O3S.C19H19F3N4OS/c1-5-30(27,28)14-7-13-11(8-18(2,3)29-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4;1-5-28-14-7-13-11(8-18(2,3)27-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4/h6-7,9H,5,8H2,1-4H3;6-7,9H,5,8H2,1-4H3
InChIKeyKVPAKWYTPSPPKE-UHFFFAOYSA-N
MW848.90 g/mol
LogP8.43
Rot. Bonds6

About 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine

6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine (PubChem CID 159253461) has the molecular formula C38H38F6N8O4S2 and a molecular weight of 848.90 g/mol. Its IUPAC name is 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
PubChem CID159253461
Molecular FormulaC38H38F6N8O4S2
Molecular Weight848.90 g/mol
Exact Mass848.24
IUPAC Name6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
SMILESCCS(=O)(=O)c1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2.CCSc1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2
InChIInChI=1S/C19H19F3N4O3S.C19H19F3N4OS/c1-5-30(27,28)14-7-13-11(8-18(2,3)29-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4;1-5-28-14-7-13-11(8-18(2,3)27-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4/h6-7,9H,5,8H2,1-4H3;6-7,9H,5,8H2,1-4H3
InChIKeyKVPAKWYTPSPPKE-UHFFFAOYSA-N
XLogP8.43
TPSA139.80 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.90
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine with MolForge

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Related Compounds

2-[5-(Difluoromethoxy)-3-ethylsulfonyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117814335
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]-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
2-[3-Ethylsulfonyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4-phenylmethoxy-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121291709
6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
CID 121405283
6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
CID 121405285
2-[5-(Difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 123197728
2-[5-[3-(Difluoromethoxy)pyridin-2-yl]-3-ethylsulfonylpyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438524
2-[3-Ethylsulfonyl-5-(4-methoxypyridin-2-yl)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438584
6-ethylsulfonyl-2,2-dimethyl-5-[4-methyl-5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]-3H-furo[3,2-b]pyridine
CID 131987444
4-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[2,3-c]pyridine
CID 132200228

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
The IUPAC name of 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine (CID 159253461) is 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine.
What is the SMILES notation for 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
The canonical SMILES for 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine is CCS(=O)(=O)c1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2.CCSc1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2.
What is the InChIKey of 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
The InChIKey is KVPAKWYTPSPPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S.C19H19F3N4OS/c1-5-30(27,28)14-7-13-11(8-18(2,3)29-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4;1-5-28-14-7-13-11(8-18(2,3)27-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4/h6-7,9H,5,8H2,1-4H3;6-7,9H,5,8H2,1-4H3.
What are the key properties of 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine has a molecular weight of 848.90 g/mol, XLogP of 8.43, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine is sourced from PubChem (CID 159253461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).