N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide

C18H20F3N5O4S — CID 142621056

About N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide

N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide (PubChem CID 142621056) has the molecular formula C18H20F3N5O4S and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide.

Molecular Properties

• Compound Name: N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide
• PubChem CID: 142621056
• Molecular Formula: C18H20F3N5O4S
• Molecular Weight: 459.45 g/mol
• Exact Mass: 459.12
• IUPAC Name: N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide
• SMILES: CCS(O)(O)c1cc(N(OC)C(C)=O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C18H20F3N5O4S/c1-5-31(28,29)14-6-11(26(30-4)10(2)27)8-23-16(14)17-24-12-7-15(18(19,20)21)22-9-13(12)25(17)3/h6-9,28-29H,5H2,1-4H3
• InChIKey: YIQUGRPMQFCKCT-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 113.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.45
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide?

The IUPAC name of N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide (CID 142621056) is N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide.

What is the SMILES notation for N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide?

The canonical SMILES for N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide is CCS(O)(O)c1cc(N(OC)C(C)=O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide?

The InChIKey is YIQUGRPMQFCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O4S/c1-5-31(28,29)14-6-11(26(30-4)10(2)27)8-23-16(14)17-24-12-7-15(18(19,20)21)22-9-13(12)25(17)3/h6-9,28-29H,5H2,1-4H3.

What are the key properties of N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide?

N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide has a molecular weight of 459.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-methoxyacetamide is sourced from PubChem (CID 142621056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).