2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C20H20F3N7O2S — CID 146289368

IUPAC2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-n2ccc(C3CC3)n2)n1C
InChIInChI=1S/C20H20F3N7O2S/c1-4-33(31,32)18-15(26-19(29(18)3)30-8-7-13(27-30)11-5-6-11)17-25-14-9-12(20(21,22)23)10-24-16(14)28(17)2/h7-11H,4-6H2,1-3H3
InChIKeyBOJJCBRWOCZQKV-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 146289368) has the molecular formula C20H20F3N7O2S and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID146289368
Molecular FormulaC20H20F3N7O2S
Molecular Weight479.49 g/mol
Exact Mass479.14
IUPAC Name2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-n2ccc(C3CC3)n2)n1C
InChIInChI=1S/C20H20F3N7O2S/c1-4-33(31,32)18-15(26-19(29(18)3)30-8-7-13(27-30)11-5-6-11)17-25-14-9-12(20(21,22)23)10-24-16(14)28(17)2/h7-11H,4-6H2,1-3H3
InChIKeyBOJJCBRWOCZQKV-UHFFFAOYSA-N
XLogP3.24
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 146289368) is 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-n2ccc(C3CC3)n2)n1C.
What is the InChIKey of 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is BOJJCBRWOCZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O2S/c1-4-33(31,32)18-15(26-19(29(18)3)30-8-7-13(27-30)11-5-6-11)17-25-14-9-12(20(21,22)23)10-24-16(14)28(17)2/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 479.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 146289368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).