1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

C21H14F3N5O3S — CID 121299224

IUPAC1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ccc2ncc(S(=O)(=O)n3ncc4ncc(-c5cccc(C(F)(F)F)c5)cc43)n2c1
InChIInChI=1S/C21H14F3N5O3S/c1-32-16-5-6-19-26-11-20(28(19)12-16)33(30,31)29-18-8-14(9-25-17(18)10-27-29)13-3-2-4-15(7-13)21(22,23)24/h2-12H,1H3
InChIKeyJVCQHXCSDYOPIX-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.01
Rot. Bonds4

About 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (PubChem CID 121299224) has the molecular formula C21H14F3N5O3S and a molecular weight of 473.44 g/mol. Its IUPAC name is 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
PubChem CID121299224
Molecular FormulaC21H14F3N5O3S
Molecular Weight473.44 g/mol
Exact Mass473.08
IUPAC Name1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ccc2ncc(S(=O)(=O)n3ncc4ncc(-c5cccc(C(F)(F)F)c5)cc43)n2c1
InChIInChI=1S/C21H14F3N5O3S/c1-32-16-5-6-19-26-11-20(28(19)12-16)33(30,31)29-18-8-14(9-25-17(18)10-27-29)13-3-2-4-15(7-13)21(22,23)24/h2-12H,1H3
InChIKeyJVCQHXCSDYOPIX-UHFFFAOYSA-N
XLogP4.01
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (CID 121299224) is 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is COc1ccc2ncc(S(=O)(=O)n3ncc4ncc(-c5cccc(C(F)(F)F)c5)cc43)n2c1.
What is the InChIKey of 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is JVCQHXCSDYOPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O3S/c1-32-16-5-6-19-26-11-20(28(19)12-16)33(30,31)29-18-8-14(9-25-17(18)10-27-29)13-3-2-4-15(7-13)21(22,23)24/h2-12H,1H3.
What are the key properties of 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 473.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 121299224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).