2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C21H15F5N4O2S — CID 122430733

IUPAC2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1ccc(-c2cc(F)cc(F)c2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H15F5N4O2S/c1-3-33(31,32)17-5-4-14(11-6-12(22)8-13(23)7-11)28-19(17)20-29-15-9-18(21(24,25)26)27-10-16(15)30(20)2/h4-10H,3H2,1-2H3
InChIKeyYWVUAZAQCHFLAE-UHFFFAOYSA-N
MW482.43 g/mol
LogP4.79
Rot. Bonds4

About 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 122430733) has the molecular formula C21H15F5N4O2S and a molecular weight of 482.43 g/mol. Its IUPAC name is 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID122430733
Molecular FormulaC21H15F5N4O2S
Molecular Weight482.43 g/mol
Exact Mass482.08
IUPAC Name2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1ccc(-c2cc(F)cc(F)c2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H15F5N4O2S/c1-3-33(31,32)17-5-4-14(11-6-12(22)8-13(23)7-11)28-19(17)20-29-15-9-18(21(24,25)26)27-10-16(15)30(20)2/h4-10H,3H2,1-2H3
InChIKeyYWVUAZAQCHFLAE-UHFFFAOYSA-N
XLogP4.79
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 122430733) is 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1ccc(-c2cc(F)cc(F)c2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is YWVUAZAQCHFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N4O2S/c1-3-33(31,32)17-5-4-14(11-6-12(22)8-13(23)7-11)28-19(17)20-29-15-9-18(21(24,25)26)27-10-16(15)30(20)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 482.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 122430733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).