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

IUPAC6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(OC)c(NCC#Cc2nc3c(C)cccn3c2SC(F)(F)F)c1
InChIInChI=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)
InChIKeyFQCCTHFVSFTXEE-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.48
Rot. Bonds5

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 Name6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide
PubChem CID171530804
Molecular FormulaC20H18F3N5O2S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC Name6-methoxy-N-methyl-5-[3-[8-methyl-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(OC)c(NCC#Cc2nc3c(C)cccn3c2SC(F)(F)F)c1
InChIInChI=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)
InChIKeyFQCCTHFVSFTXEE-UHFFFAOYSA-N
XLogP3.48
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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).