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

C18H14ClF3N6O2S — CID 158048184

IUPAC2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1ccc(-n2ccc(Cl)n2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H14ClF3N6O2S/c1-3-31(29,30)12-4-5-15(28-7-6-14(19)26-28)25-16(12)17-24-10-8-13(18(20,21)22)23-9-11(10)27(17)2/h4-9H,3H2,1-2H3
InChIKeyFJDYTMFFOKFAIQ-UHFFFAOYSA-N
MW470.86 g/mol
LogP3.68
Rot. Bonds4

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

2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 158048184) has the molecular formula C18H14ClF3N6O2S and a molecular weight of 470.86 g/mol. Its IUPAC name is 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID158048184
Molecular FormulaC18H14ClF3N6O2S
Molecular Weight470.86 g/mol
Exact Mass470.05
IUPAC Name2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1ccc(-n2ccc(Cl)n2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H14ClF3N6O2S/c1-3-31(29,30)12-4-5-15(28-7-6-14(19)26-28)25-16(12)17-24-10-8-13(18(20,21)22)23-9-11(10)27(17)2/h4-9H,3H2,1-2H3
InChIKeyFJDYTMFFOKFAIQ-UHFFFAOYSA-N
XLogP3.68
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.86
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
2-[3-ethylsulfinyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430784
2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430733
2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438583
2-[5-(6-chloro-5-methyl-3-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438487
4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 122646789
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
2-[5-ethylsulfonyl-1-methyl-2-(1-methylpyrrol-2-yl)imidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235352
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
CID 164729650
2-[5-(4-chloro-2-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438567
2-[2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235428
2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134365728

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 158048184) is 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1ccc(-n2ccc(Cl)n2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is FJDYTMFFOKFAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N6O2S/c1-3-31(29,30)12-4-5-15(28-7-6-14(19)26-28)25-16(12)17-24-10-8-13(18(20,21)22)23-9-11(10)27(17)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 470.86 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 158048184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).