6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine

C44H48F6N12O11S2 — CID 167599569

IUPAC6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine
SMILESCOC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COC1=NN(c2ccc(CNC(=O)c3c(C)nc4ccc(OC)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1ccc2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C22H23F3N6O5S.C12H15F3N4O3S.C10H10N2O3/c1-14-19(29-13-17(35-2)8-9-18(29)27-14)20(32)26-12-15-4-6-16(7-5-15)30-10-11-31(21(28-30)36-3)37(33,34)22(23,24)25;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-6-9(10(13)14)12-5-7(15-2)3-4-8(12)11-6/h4-9,13H,10-12H2,1-3H3,(H,26,32);2-5H,6-8,16H2,1H3;3-5H,1-2H3,(H,13,14)
InChIKeyJNSUARSFRRBDQP-UHFFFAOYSA-N
MW1099.06 g/mol
LogP4.85
Rot. Bonds11

About 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine

6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine (PubChem CID 167599569) has the molecular formula C44H48F6N12O11S2 and a molecular weight of 1099.06 g/mol. Its IUPAC name is 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine
PubChem CID167599569
Molecular FormulaC44H48F6N12O11S2
Molecular Weight1099.06 g/mol
Exact Mass1098.29
IUPAC Name6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine
SMILESCOC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COC1=NN(c2ccc(CNC(=O)c3c(C)nc4ccc(OC)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1ccc2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C22H23F3N6O5S.C12H15F3N4O3S.C10H10N2O3/c1-14-19(29-13-17(35-2)8-9-18(29)27-14)20(32)26-12-15-4-6-16(7-5-15)30-10-11-31(21(28-30)36-3)37(33,34)22(23,24)25;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-6-9(10(13)14)12-5-7(15-2)3-4-8(12)11-6/h4-9,13H,10-12H2,1-3H3,(H,26,32);2-5H,6-8,16H2,1H3;3-5H,1-2H3,(H,13,14)
InChIKeyJNSUARSFRRBDQP-UHFFFAOYSA-N
XLogP4.85
TPSA269.90 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.06
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117077607
5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10-methyl-13-oxa-3,6,10-triazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide
CID 156160050
2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160113
7-chloro-2-ethyl-6-methoxy-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160203
5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide
CID 165126375
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxy-8-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165126420
7-chloro-2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413668
2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxy-imidazo[1,2-a]pyridine-3-carboxamide
CID 165413670
7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxy-imidazo[1,2-a]pyridine-3-carboxamide
CID 165413723
11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide
CID 165413949
2-ethyl-6-methoxy-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165414138
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165414199

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?
The IUPAC name of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine (CID 167599569) is 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine.
What is the SMILES notation for 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?
The canonical SMILES for 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine is COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COC1=NN(c2ccc(CNC(=O)c3c(C)nc4ccc(OC)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1ccc2nc(C)c(C(=O)O)n2c1.
What is the InChIKey of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?
The InChIKey is JNSUARSFRRBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O5S.C12H15F3N4O3S.C10H10N2O3/c1-14-19(29-13-17(35-2)8-9-18(29)27-14)20(32)26-12-15-4-6-16(7-5-15)30-10-11-31(21(28-30)36-3)37(33,34)22(23,24)25;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-6-9(10(13)14)12-5-7(15-2)3-4-8(12)11-6/h4-9,13H,10-12H2,1-3H3,(H,26,32);2-5H,6-8,16H2,1H3;3-5H,1-2H3,(H,13,14).
What are the key properties of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine has a molecular weight of 1099.06 g/mol, XLogP of 4.85, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 167599569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).