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

C43H48ClF6N13O11S2 — CID 167587970

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

6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167587970) has the molecular formula C43H48ClF6N13O11S2 and a molecular weight of 1136.51 g/mol. Its IUPAC name is 6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: 6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• PubChem CID: 167587970
• Molecular Formula: C43H48ClF6N13O11S2
• Molecular Weight: 1136.51 g/mol
• Exact Mass: 1135.26
• IUPAC Name: 6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• SMILES: COCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.COCc1nc2ncc(OC)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
• InChI: InChI=1S/C22H23F3N6O5S.C11H13F3N4O2S.C10H11N3O4.ClH/c1-35-13-18-20(30-12-17(36-2)7-8-19(30)28-18)21(32)26-11-15-3-5-16(6-4-15)31-10-9-29(14-27-31)37(33,34)22(23,24)25;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-16-5-7-8(9(14)15)13-4-6(17-2)3-11-10(13)12-7;/h3-8,12,14H,9-11,13H2,1-2H3,(H,26,32);1-4,8H,5-7,15H2;3-4H,5H2,1-2H3,(H,14,15);1H
• InChIKey: BUHHYFBAZXVQIH-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 282.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.51
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167587970) is 6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

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

The canonical SMILES for 6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is COCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.COCc1nc2ncc(OC)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.

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

The InChIKey is BUHHYFBAZXVQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O5S.C11H13F3N4O2S.C10H11N3O4.ClH/c1-35-13-18-20(30-12-17(36-2)7-8-19(30)28-18)21(32)26-11-15-3-5-16(6-4-15)31-10-9-29(14-27-31)37(33,34)22(23,24)25;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-16-5-7-8(9(14)15)13-4-6(17-2)3-11-10(13)12-7;/h3-8,12,14H,9-11,13H2,1-2H3,(H,26,32);1-4,8H,5-7,15H2;3-4H,5H2,1-2H3,(H,14,15);1H.

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

6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1136.51 g/mol, XLogP of 4.40, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167587970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).