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

C18H17F6N5O2S — CID 139433941

IUPAC2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C18H17F6N5O2S/c1-3-32(30,31)14-12-7-9(17(19,20)21)4-5-29(12)27-13(14)16-26-11-6-10(18(22,23)24)8-25-15(11)28(16)2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQSHFMOOTIKWUNZ-UHFFFAOYSA-N
MW481.42 g/mol
LogP3.77
Rot. Bonds3

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

2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 139433941) has the molecular formula C18H17F6N5O2S and a molecular weight of 481.42 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID139433941
Molecular FormulaC18H17F6N5O2S
Molecular Weight481.42 g/mol
Exact Mass481.10
IUPAC Name2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C18H17F6N5O2S/c1-3-32(30,31)14-12-7-9(17(19,20)21)4-5-29(12)27-13(14)16-26-11-6-10(18(22,23)24)8-25-15(11)28(16)2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQSHFMOOTIKWUNZ-UHFFFAOYSA-N
XLogP3.77
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 139433941) is 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2c1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is QSHFMOOTIKWUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6N5O2S/c1-3-32(30,31)14-12-7-9(17(19,20)21)4-5-29(12)27-13(14)16-26-11-6-10(18(22,23)24)8-25-15(11)28(16)2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 481.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 139433941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).