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

C18H20F3N5O3S — CID 134274327

IUPAC2-(3-ethylsulfonyl-7-methyl-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)nc2n1CCC(C)C2
InChIInChI=1S/C18H20F3N5O3S/c1-4-30(27,28)17-14(24-13-7-10(2)5-6-26(13)17)16-23-12-8-11(29-18(19,20)21)9-22-15(12)25(16)3/h8-10H,4-7H2,1-3H3
InChIKeyQKGDJNHLARNADF-UHFFFAOYSA-N
MW443.45 g/mol
LogP3.11
Rot. Bonds4

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

2-(3-ethylsulfonyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (PubChem CID 134274327) has the molecular formula C18H20F3N5O3S and a molecular weight of 443.45 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-7-methyl-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-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
PubChem CID134274327
Molecular FormulaC18H20F3N5O3S
Molecular Weight443.45 g/mol
Exact Mass443.12
IUPAC Name2-(3-ethylsulfonyl-7-methyl-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)nc2n1CCC(C)C2
InChIInChI=1S/C18H20F3N5O3S/c1-4-30(27,28)17-14(24-13-7-10(2)5-6-26(13)17)16-23-12-8-11(29-18(19,20)21)9-22-15(12)25(16)3/h8-10H,4-7H2,1-3H3
InChIKeyQKGDJNHLARNADF-UHFFFAOYSA-N
XLogP3.11
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-7-methyl-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-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (CID 134274327) is 2-(3-ethylsulfonyl-7-methyl-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-7-methyl-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-7-methyl-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)nc2n1CCC(C)C2.
What is the InChIKey of 2-(3-ethylsulfonyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The InChIKey is QKGDJNHLARNADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3S/c1-4-30(27,28)17-14(24-13-7-10(2)5-6-26(13)17)16-23-12-8-11(29-18(19,20)21)9-22-15(12)25(16)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
2-(3-ethylsulfonyl-7-methyl-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 443.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-7-methyl-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 134274327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).