3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea

C18H19F3N6O3S — CID 121316158

IUPAC3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea
SMILESCCS(=O)(=O)c1cc(NC(=O)N(C)C)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H19F3N6O3S/c1-5-31(29,30)13-7-11(24-17(28)26(2)3)9-22-14(13)16-25-12-6-10(18(19,20)21)8-23-15(12)27(16)4/h6-9H,5H2,1-4H3,(H,24,28)
InChIKeyMVXDNJJMUWDBLU-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.94
Rot. Bonds4

About 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea

3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea (PubChem CID 121316158) has the molecular formula C18H19F3N6O3S and a molecular weight of 456.45 g/mol. Its IUPAC name is 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea
PubChem CID121316158
Molecular FormulaC18H19F3N6O3S
Molecular Weight456.45 g/mol
Exact Mass456.12
IUPAC Name3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea
SMILESCCS(=O)(=O)c1cc(NC(=O)N(C)C)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H19F3N6O3S/c1-5-31(29,30)13-7-11(24-17(28)26(2)3)9-22-14(13)16-25-12-6-10(18(19,20)21)8-23-15(12)27(16)4/h6-9H,5H2,1-4H3,(H,24,28)
InChIKeyMVXDNJJMUWDBLU-UHFFFAOYSA-N
XLogP2.94
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea?
The IUPAC name of 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea (CID 121316158) is 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea?
The canonical SMILES for 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea is CCS(=O)(=O)c1cc(NC(=O)N(C)C)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea?
The InChIKey is MVXDNJJMUWDBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O3S/c1-5-31(29,30)13-7-11(24-17(28)26(2)3)9-22-14(13)16-25-12-6-10(18(19,20)21)8-23-15(12)27(16)4/h6-9H,5H2,1-4H3,(H,24,28).
What are the key properties of 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea?
3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea has a molecular weight of 456.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-1,1-dimethylurea is sourced from PubChem (CID 121316158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).