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

C44H48F8N14O9S2 — CID 167610777

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

2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine (PubChem CID 167610777) has the molecular formula C44H48F8N14O9S2 and a molecular weight of 1133.07 g/mol. Its IUPAC name is 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine
• PubChem CID: 167610777
• Molecular Formula: C44H48F8N14O9S2
• Molecular Weight: 1133.07 g/mol
• Exact Mass: 1132.30
• IUPAC Name: 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine
• SMILES: CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2ncc(C)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C22H23F4N7O4S.C12H14F4N4O3S.C10H11N3O2/c1-4-16-18(31-12-13(2)10-28-20(31)29-16)19(34)27-11-14-5-6-17(15(23)9-14)32-7-8-33(21(30-32)37-3)38(35,36)22(24,25)26;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;1-3-7-8(9(14)15)13-5-6(2)4-11-10(13)12-7/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,27,34);2-3,6H,4-5,7,17H2,1H3;4-5H,3H2,1-2H3,(H,14,15)
• InChIKey: KZYSXLIKXSPTMX-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 277.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.07
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?

The IUPAC name of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine (CID 167610777) is 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine.

What is the SMILES notation for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?

The canonical SMILES for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine is CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2ncc(C)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.

What is the InChIKey of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?

The InChIKey is KZYSXLIKXSPTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N7O4S.C12H14F4N4O3S.C10H11N3O2/c1-4-16-18(31-12-13(2)10-28-20(31)29-16)19(34)27-11-14-5-6-17(15(23)9-14)32-7-8-33(21(30-32)37-3)38(35,36)22(24,25)26;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;1-3-7-8(9(14)15)13-5-6(2)4-11-10(13)12-7/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,27,34);2-3,6H,4-5,7,17H2,1H3;4-5H,3H2,1-2H3,(H,14,15).

What are the key properties of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine?

2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine has a molecular weight of 1133.07 g/mol, XLogP of 5.03, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 167610777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).