2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H26F3N7O3S — CID 165126820

IUPAC2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(C)c(C)cn2c1C(=O)NCc1ccc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)cc1
InChIInChI=1S/C25H26F3N7O3S/c1-4-19-22(34-13-16(3)15(2)11-20(34)30-19)24(36)29-12-17-5-7-18(8-6-17)23-31-21-14-33(9-10-35(21)32-23)39(37,38)25(26,27)28/h5-8,11,13H,4,9-10,12,14H2,1-3H3,(H,29,36)
InChIKeyVVNBKNQIBOSQTL-UHFFFAOYSA-N
MW561.59 g/mol
LogP3.37
Rot. Bonds6

About 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126820) has the molecular formula C25H26F3N7O3S and a molecular weight of 561.59 g/mol. Its IUPAC name is 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165126820
Molecular FormulaC25H26F3N7O3S
Molecular Weight561.59 g/mol
Exact Mass561.18
IUPAC Name2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(C)c(C)cn2c1C(=O)NCc1ccc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)cc1
InChIInChI=1S/C25H26F3N7O3S/c1-4-19-22(34-13-16(3)15(2)11-20(34)30-19)24(36)29-12-17-5-7-18(8-6-17)23-31-21-14-33(9-10-35(21)32-23)39(37,38)25(26,27)28/h5-8,11,13H,4,9-10,12,14H2,1-3H3,(H,29,36)
InChIKeyVVNBKNQIBOSQTL-UHFFFAOYSA-N
XLogP3.37
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165126820) is 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(C)c(C)cn2c1C(=O)NCc1ccc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)cc1.
What is the InChIKey of 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VVNBKNQIBOSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O3S/c1-4-19-22(34-13-16(3)15(2)11-20(34)30-19)24(36)29-12-17-5-7-18(8-6-17)23-31-21-14-33(9-10-35(21)32-23)39(37,38)25(26,27)28/h5-8,11,13H,4,9-10,12,14H2,1-3H3,(H,29,36).
What are the key properties of 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 561.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).