1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride

C51H46ClF8N17O5 — CID 162220439

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 162220439) has the molecular formula C51H46ClF8N17O5 and a molecular weight of 1164.48 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride
• PubChem CID: 162220439
• Molecular Formula: C51H46ClF8N17O5
• Molecular Weight: 1164.48 g/mol
• Exact Mass: 1163.34
• IUPAC Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride
• SMILES: COc1ccc(-n2cnc(C(F)(F)F)n2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.COc1ccc(-n2cnc(C(F)(F)F)n2)c(CN)c1F.Cl.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C26H22F4N8O2.C14H13N5O2.C11H10F4N4O.ClH/c1-40-22-8-6-20(38-14-31-25(34-38)26(28,29)30)18(24(22)27)5-7-21(39)19-13-37(35-33-19)12-17-11-36-10-16(15-2-3-15)4-9-23(36)32-17;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;1-20-8-3-2-7(6(4-16)9(8)12)19-5-17-10(18-19)11(13,14)15;/h4,6,8-11,13-15H,2-3,5,7,12H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);2-3,5H,4,16H2,1H3;1H
• InChIKey: JHZNRNJUIFJUCE-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 256.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1164.48
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride?

The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride (CID 162220439) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride.

What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride?

The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride is COc1ccc(-n2cnc(C(F)(F)F)n2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.COc1ccc(-n2cnc(C(F)(F)F)n2)c(CN)c1F.Cl.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.

What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride?

The InChIKey is JHZNRNJUIFJUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N8O2.C14H13N5O2.C11H10F4N4O.ClH/c1-40-22-8-6-20(38-14-31-25(34-38)26(28,29)30)18(24(22)27)5-7-21(39)19-13-37(35-33-19)12-17-11-36-10-16(15-2-3-15)4-9-23(36)32-17;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;1-20-8-3-2-7(6(4-16)9(8)12)19-5-17-10(18-19)11(13,14)15;/h4,6,8-11,13-15H,2-3,5,7,12H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);2-3,5H,4,16H2,1H3;1H.

What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride?

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1164.48 g/mol, XLogP of 8.28, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]propan-1-one;[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 162220439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).