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

C41H34Cl2F14N12O7S2 — CID 167710551

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

6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 167710551) has the molecular formula C41H34Cl2F14N12O7S2 and a molecular weight of 1207.81 g/mol. Its IUPAC name is 6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 167710551
• Molecular Formula: C41H34Cl2F14N12O7S2
• Molecular Weight: 1207.81 g/mol
• Exact Mass: 1206.13
• IUPAC Name: 6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride
• SMILES: Cc1ccc2nc(C(F)(F)F)c(C(=O)O)n2c1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)c1c(C(F)(F)F)nc2ccc(Cl)cn12
• InChI: InChI=1S/C20H14ClF7N6O3S.C11H12F4N4O2S.C10H7F3N2O2.ClH/c21-12-2-4-15-31-17(19(23,24)25)16(33(15)9-12)18(35)29-8-11-1-3-14(13(22)7-11)34-6-5-32(10-30-34)38(36,37)20(26,27)28;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-5-2-3-6-14-8(10(11,12)13)7(9(16)17)15(6)4-5;/h1-4,7,9-10H,5-6,8H2,(H,29,35);1-2,5,7H,3-4,6,16H2;2-4H,1H3,(H,16,17);1H
• InChIKey: KHSQWHGNAJBSBY-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.81
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride (CID 167710551) is 6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride.

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

The canonical SMILES for 6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride is Cc1ccc2nc(C(F)(F)F)c(C(=O)O)n2c1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)c1c(C(F)(F)F)nc2ccc(Cl)cn12.

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

The InChIKey is KHSQWHGNAJBSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF7N6O3S.C11H12F4N4O2S.C10H7F3N2O2.ClH/c21-12-2-4-15-31-17(19(23,24)25)16(33(15)9-12)18(35)29-8-11-1-3-14(13(22)7-11)34-6-5-32(10-30-34)38(36,37)20(26,27)28;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-5-2-3-6-14-8(10(11,12)13)7(9(16)17)15(6)4-5;/h1-4,7,9-10H,5-6,8H2,(H,29,35);1-2,5,7H,3-4,6,16H2;2-4H,1H3,(H,16,17);1H.

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

6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 1207.81 g/mol, XLogP of 7.97, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 167710551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).