2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C22H15F6N7O2S — CID 130438506

IUPAC2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-n2ncc3cnc(C(F)(F)F)cc32)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H15F6N7O2S/c1-3-38(36,37)16-4-12(35-14-6-18(22(26,27)28)29-7-11(14)8-32-35)9-31-19(16)20-33-13-5-17(21(23,24)25)30-10-15(13)34(20)2/h4-10H,3H2,1-2H3
InChIKeyIVWXDUWWYOJOHJ-UHFFFAOYSA-N
MW555.46 g/mol
LogP4.60
Rot. Bonds4

About 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130438506) has the molecular formula C22H15F6N7O2S and a molecular weight of 555.46 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130438506
Molecular FormulaC22H15F6N7O2S
Molecular Weight555.46 g/mol
Exact Mass555.09
IUPAC Name2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-n2ncc3cnc(C(F)(F)F)cc32)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H15F6N7O2S/c1-3-38(36,37)16-4-12(35-14-6-18(22(26,27)28)29-7-11(14)8-32-35)9-31-19(16)20-33-13-5-17(21(23,24)25)30-10-15(13)34(20)2/h4-10H,3H2,1-2H3
InChIKeyIVWXDUWWYOJOHJ-UHFFFAOYSA-N
XLogP4.60
TPSA108.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130438506) is 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-n2ncc3cnc(C(F)(F)F)cc32)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is IVWXDUWWYOJOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N7O2S/c1-3-38(36,37)16-4-12(35-14-6-18(22(26,27)28)29-7-11(14)8-32-35)9-31-19(16)20-33-13-5-17(21(23,24)25)30-10-15(13)34(20)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 555.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130438506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).