methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate

C24H25F3N6O5S — CID 165126372

IUPACmethyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate
SMILESCCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C(=O)OC)=N2)cc1
InChIInChI=1S/C24H25F3N6O5S/c1-4-18-20(31-14-15(2)5-10-19(31)29-18)22(34)28-13-16-6-8-17(9-7-16)32-11-12-33(21(30-32)23(35)38-3)39(36,37)24(25,26)27/h5-10,14H,4,11-13H2,1-3H3,(H,28,34)
InChIKeyKTAMXDSRXSWTGK-UHFFFAOYSA-N
MW566.56 g/mol
LogP2.59
Rot. Bonds7

About methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate

methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate (PubChem CID 165126372) has the molecular formula C24H25F3N6O5S and a molecular weight of 566.56 g/mol. Its IUPAC name is methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate
PubChem CID165126372
Molecular FormulaC24H25F3N6O5S
Molecular Weight566.56 g/mol
Exact Mass566.16
IUPAC Namemethyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate
SMILESCCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C(=O)OC)=N2)cc1
InChIInChI=1S/C24H25F3N6O5S/c1-4-18-20(31-14-15(2)5-10-19(31)29-18)22(34)28-13-16-6-8-17(9-7-16)32-11-12-33(21(30-32)23(35)38-3)39(36,37)24(25,26)27/h5-10,14H,4,11-13H2,1-3H3,(H,28,34)
InChIKeyKTAMXDSRXSWTGK-UHFFFAOYSA-N
XLogP2.59
TPSA125.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.56
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6187702
N-[(4-dimethylaminophenyl)methyl]-2,6-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 71761817
3-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 9665850
2,6-dimethyl-N-[2-[3-(trifluoromethyl)anilino]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 145961377
2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 73953010
2-ethyl-3-[ethyl(2-methoxyethyl)amino]-N-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 49790255
2,6-dimethyl-N-[2-[4-(trifluoromethyl)anilino]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 145961130
N-{[4-(morpholin-4-yl)phenyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
CID 51092488
7-Methyl-N-{[4-(morpholin-4-YL)phenyl]methyl}imidazo[1,2-A]pyridine-2-carboxamide
CID 53167054
8-Methyl-N-{[4-(morpholin-4-YL)phenyl]methyl}imidazo[1,2-A]pyridine-2-carboxamide
CID 53167071
N-[(3-fluoro-4-morpholino-phenyl)methyl]-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 126710378

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate?
The IUPAC name of methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate (CID 165126372) is methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate.
What is the SMILES notation for methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate?
The canonical SMILES for methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate is CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C(=O)OC)=N2)cc1.
What is the InChIKey of methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate?
The InChIKey is KTAMXDSRXSWTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O5S/c1-4-18-20(31-14-15(2)5-10-19(31)29-18)22(34)28-13-16-6-8-17(9-7-16)32-11-12-33(21(30-32)23(35)38-3)39(36,37)24(25,26)27/h5-10,14H,4,11-13H2,1-3H3,(H,28,34).
What are the key properties of methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate?
methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate has a molecular weight of 566.56 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate is sourced from PubChem (CID 165126372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).