6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H17ClF5N7O3S — CID 165413669

IUPAC6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(Cl)cn2c1C(=O)NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C20H17ClF5N7O3S/c1-2-15-17(32-9-12(21)8-28-19(32)30-15)18(34)27-7-11-5-13(22)16(14(23)6-11)33-4-3-31(10-29-33)37(35,36)20(24,25)26/h5-6,8-10H,2-4,7H2,1H3,(H,27,34)
InChIKeyFXQAONKMHWQQIY-UHFFFAOYSA-N
MW565.91 g/mol
LogP3.07
Rot. Bonds6

About 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide

6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 165413669) has the molecular formula C20H17ClF5N7O3S and a molecular weight of 565.91 g/mol. Its IUPAC name is 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID165413669
Molecular FormulaC20H17ClF5N7O3S
Molecular Weight565.91 g/mol
Exact Mass565.07
IUPAC Name6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(Cl)cn2c1C(=O)NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C20H17ClF5N7O3S/c1-2-15-17(32-9-12(21)8-28-19(32)30-15)18(34)27-7-11-5-13(22)16(14(23)6-11)33-4-3-31(10-29-33)37(35,36)20(24,25)26/h5-6,8-10H,2-4,7H2,1H3,(H,27,34)
InChIKeyFXQAONKMHWQQIY-UHFFFAOYSA-N
XLogP3.07
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.91
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 165413928
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 165413743
2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen
CID 165126411
5-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethyl-3aH-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 165413946
[1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carbonyl)amino]methyl]-2-fluorophenyl]-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 165126504
6-chloro-2-ethyl-N-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135194020
bis(1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one);[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;methane
CID 167545390
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-propan-2-yl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
2-ethyl-6-methyl-N-[[2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]pyrimidin-5-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126668
2-ethyl-N-[[4-(4-ethylsulfonyl-5,6-dihydro-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-6-fluoro-7-oxo-8H-imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126444
6-chloro-2-ethyl-N-[[4-(1-pyridin-3-ylpiperidin-4-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135193990
N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165126555

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 165413669) is 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide is CCc1nc2ncc(Cl)cn2c1C(=O)NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.
What is the InChIKey of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FXQAONKMHWQQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF5N7O3S/c1-2-15-17(32-9-12(21)8-28-19(32)30-15)18(34)27-7-11-5-13(22)16(14(23)6-11)33-4-3-31(10-29-33)37(35,36)20(24,25)26/h5-6,8-10H,2-4,7H2,1H3,(H,27,34).
What are the key properties of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide?
6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 565.91 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165413669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).