6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide

C20H18F3N5O2S — CID 171530804

About 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide

6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide (PubChem CID 171530804) has the molecular formula C20H18F3N5O2S and a molecular weight of 449.46 g/mol. Its IUPAC name is 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide
• PubChem CID: 171530804
• Molecular Formula: C20H18F3N5O2S
• Molecular Weight: 449.46 g/mol
• Exact Mass: 449.11
• IUPAC Name: 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cnc(OC)c(NCC#Cc2nc3c(C)cccn3c2SC(F)(F)F)c1
• InChI: InChI=1S/C20H18F3N5O2S/c1-12-6-5-9-28-16(12)27-14(19(28)31-20(21,22)23)7-4-8-25-15-10-13(17(29)24-2)11-26-18(15)30-3/h5-6,9-11,25H,8H2,1-3H3,(H,24,29)
• InChIKey: FQCCTHFVSFTXEE-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.46
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide?

The IUPAC name of 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide (CID 171530804) is 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide.

What is the SMILES notation for 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide?

The canonical SMILES for 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide is CNC(=O)c1cnc(OC)c(NCC#Cc2nc3c(C)cccn3c2SC(F)(F)F)c1.

What is the InChIKey of 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide?

The InChIKey is FQCCTHFVSFTXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2S/c1-12-6-5-9-28-16(12)27-14(19(28)31-20(21,22)23)7-4-8-25-15-10-13(17(29)24-2)11-26-18(15)30-3/h5-6,9-11,25H,8H2,1-3H3,(H,24,29).

What are the key properties of 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide?

6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide is sourced from PubChem (CID 171530804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).