2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H18F6N6O4S — CID 165126511

IUPAC2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ccccn34)cc2F)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C21H18F6N6O4S/c1-37-20-30-32(8-9-33(20)38(35,36)21(25,26)27)14-6-5-12(10-13(14)22)11-28-19(34)17-16(18(23)24)29-15-4-2-3-7-31(15)17/h2-7,10,18H,8-9,11H2,1H3,(H,28,34)
InChIKeyBUFQXMNXXFDPQX-UHFFFAOYSA-N
MW564.47 g/mol
LogP3.23
Rot. Bonds6

About 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126511) has the molecular formula C21H18F6N6O4S and a molecular weight of 564.47 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165126511
Molecular FormulaC21H18F6N6O4S
Molecular Weight564.47 g/mol
Exact Mass564.10
IUPAC Name2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ccccn34)cc2F)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C21H18F6N6O4S/c1-37-20-30-32(8-9-33(20)38(35,36)21(25,26)27)14-6-5-12(10-13(14)22)11-28-19(34)17-16(18(23)24)29-15-4-2-3-7-31(15)17/h2-7,10,18H,8-9,11H2,1H3,(H,28,34)
InChIKeyBUFQXMNXXFDPQX-UHFFFAOYSA-N
XLogP3.23
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

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7-chloro-2-ethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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2-(2,4-difluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
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2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784332
N-[2-[4-(dimethylsulfamoylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
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CID 52912224
N-[(3-fluorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248895
2,7-dimethyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 57395220
5-(4-fluorophenyl)-N,14-dimethyl-10-methylsulfonyl-3,6,10-triazatricyclo[7.5.0.03,7]tetradeca-1,4,6,8-tetraene-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165126511) is 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is COC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ccccn34)cc2F)CCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BUFQXMNXXFDPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N6O4S/c1-37-20-30-32(8-9-33(20)38(35,36)21(25,26)27)14-6-5-12(10-13(14)22)11-28-19(34)17-16(18(23)24)29-15-4-2-3-7-31(15)17/h2-7,10,18H,8-9,11H2,1H3,(H,28,34).
What are the key properties of 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 564.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).