2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine

C17H18F3N5O3S — CID 134274339

IUPAC2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc2n1CCCC2
InChIInChI=1S/C17H18F3N5O3S/c1-3-29(26,27)16-13(23-12-6-4-5-7-25(12)16)15-22-11-8-10(28-17(18,19)20)9-21-14(11)24(15)2/h8-9H,3-7H2,1-2H3
InChIKeyGQYRBUHGVHZPMR-UHFFFAOYSA-N
MW429.42 g/mol
LogP2.86
Rot. Bonds4

About 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine

2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (PubChem CID 134274339) has the molecular formula C17H18F3N5O3S and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
PubChem CID134274339
Molecular FormulaC17H18F3N5O3S
Molecular Weight429.42 g/mol
Exact Mass429.11
IUPAC Name2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc2n1CCCC2
InChIInChI=1S/C17H18F3N5O3S/c1-3-29(26,27)16-13(23-12-6-4-5-7-25(12)16)15-22-11-8-10(28-17(18,19)20)9-21-14(11)24(15)2/h8-9H,3-7H2,1-2H3
InChIKeyGQYRBUHGVHZPMR-UHFFFAOYSA-N
XLogP2.86
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (CID 134274339) is 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc2n1CCCC2.
What is the InChIKey of 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The InChIKey is GQYRBUHGVHZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O3S/c1-3-29(26,27)16-13(23-12-6-4-5-7-25(12)16)15-22-11-8-10(28-17(18,19)20)9-21-14(11)24(15)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine has a molecular weight of 429.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134274339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).