2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen

C23H27F3N8O4S — CID 165126456

IUPAC2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen
SMILESCCc1nc2ncc(C(=O)N(C)C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.[H][H]
InChIInChI=1S/C23H25F3N8O4S.H2/c1-4-18-19(33-13-16(21(36)31(2)3)12-28-22(33)30-18)20(35)27-11-15-5-7-17(8-6-15)34-10-9-32(14-29-34)39(37,38)23(24,25)26;/h5-8,12-14H,4,9-11H2,1-3H3,(H,27,35);1H
InChIKeyQSYLKSHIQLFUOV-UHFFFAOYSA-N
MW568.58 g/mol
LogP2.08
Rot. Bonds7

About 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen

2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen (PubChem CID 165126456) has the molecular formula C23H27F3N8O4S and a molecular weight of 568.58 g/mol. Its IUPAC name is 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen
PubChem CID165126456
Molecular FormulaC23H27F3N8O4S
Molecular Weight568.58 g/mol
Exact Mass568.18
IUPAC Name2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen
SMILESCCc1nc2ncc(C(=O)N(C)C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.[H][H]
InChIInChI=1S/C23H25F3N8O4S.H2/c1-4-18-19(33-13-16(21(36)31(2)3)12-28-22(33)30-18)20(35)27-11-15-5-7-17(8-6-15)34-10-9-32(14-29-34)39(37,38)23(24,25)26;/h5-8,12-14H,4,9-11H2,1-3H3,(H,27,35);1H
InChIKeyQSYLKSHIQLFUOV-UHFFFAOYSA-N
XLogP2.08
TPSA132.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.58
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen with MolForge

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Related Compounds

2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
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
CID 68063060
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide
CID 165415461
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide
CID 165415462
N-[(4-dimethylaminophenyl)methyl]-2,6-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 71761817
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71765014
N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155550674
N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155559224
N-propyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155560276
6-methyl-N-propyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155560743
N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155561881
N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155565914

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen?
The IUPAC name of 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen (CID 165126456) is 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen.
What is the SMILES notation for 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen?
The canonical SMILES for 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen is CCc1nc2ncc(C(=O)N(C)C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.[H][H].
What is the InChIKey of 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen?
The InChIKey is QSYLKSHIQLFUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8O4S.H2/c1-4-18-19(33-13-16(21(36)31(2)3)12-28-22(33)30-18)20(35)27-11-15-5-7-17(8-6-15)34-10-9-32(14-29-34)39(37,38)23(24,25)26;/h5-8,12-14H,4,9-11H2,1-3H3,(H,27,35);1H.
What are the key properties of 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen?
2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen has a molecular weight of 568.58 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen is sourced from PubChem (CID 165126456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).