[6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol

C18H20F3N5O3S — CID 155109224

About [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol

[6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol (PubChem CID 155109224) has the molecular formula C18H20F3N5O3S and a molecular weight of 443.45 g/mol. Its IUPAC name is [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol.

Molecular Properties

• Compound Name: [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol
• PubChem CID: 155109224
• Molecular Formula: C18H20F3N5O3S
• Molecular Weight: 443.45 g/mol
• Exact Mass: 443.12
• IUPAC Name: [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol
• SMILES: CCS(=O)(=O)c1ccc(C(O)NC)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C
• InChI: InChI=1S/C18H20F3N5O3S/c1-5-30(28,29)12-7-6-10(17(27)22-3)24-14(12)16-25-11-8-13(18(19,20)21)23-9(2)15(11)26(16)4/h6-8,17,22,27H,5H2,1-4H3
• InChIKey: WHJSDZYXVVPFQR-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 110.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.45
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol?

The IUPAC name of [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol (CID 155109224) is [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol.

What is the SMILES notation for [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol?

The canonical SMILES for [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol is CCS(=O)(=O)c1ccc(C(O)NC)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C.

What is the InChIKey of [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol?

The InChIKey is WHJSDZYXVVPFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3S/c1-5-30(28,29)12-7-6-10(17(27)22-3)24-14(12)16-25-11-8-13(18(19,20)21)23-9(2)15(11)26(16)4/h6-8,17,22,27H,5H2,1-4H3.

What are the key properties of [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol?

[6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol has a molecular weight of 443.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-2-pyridinyl]-(methylamino)methanol is sourced from PubChem (CID 155109224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).