2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C23H24F3N7O3 — CID 139365926

About 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 139365926) has the molecular formula C23H24F3N7O3 and a molecular weight of 503.49 g/mol. Its IUPAC name is 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 139365926
• Molecular Formula: C23H24F3N7O3
• Molecular Weight: 503.49 g/mol
• Exact Mass: 503.19
• IUPAC Name: 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1C
• InChI: InChI=1S/C23H24F3N7O3/c1-13-16-11-28-31-18(16)7-6-17(13)29-22-30-20(32-33(22)8-9-35-2)14-4-5-15(19(10-14)36-3)21(34)27-12-23(24,25)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,34)(H,28,31)(H,29,30,32)
• InChIKey: LQKJIVHXEFYSNY-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 118.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.49
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 139365926) is 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1C.

What is the InChIKey of 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is LQKJIVHXEFYSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O3/c1-13-16-11-28-31-18(16)7-6-17(13)29-22-30-20(32-33(22)8-9-35-2)14-4-5-15(19(10-14)36-3)21(34)27-12-23(24,25)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,34)(H,28,31)(H,29,30,32).

What are the key properties of 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?

2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 503.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 139365926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).