4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide

C46H50F3N13O4 — CID 157400228

About 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide

4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide (PubChem CID 157400228) has the molecular formula C46H50F3N13O4 and a molecular weight of 905.99 g/mol. Its IUPAC name is 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

• Compound Name: 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide
• PubChem CID: 157400228
• Molecular Formula: C46H50F3N13O4
• Molecular Weight: 905.99 g/mol
• Exact Mass: 905.41
• IUPAC Name: 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide
• SMILES: CC(=O)NCC1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.CC(C)Oc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12
• InChI: InChI=1S/C23H24F3N7O.C23H26N6O3/c1-12(34)28-10-13-5-7-14(8-6-13)22-32-19(20-21(27)29-11-30-33(20)22)17-9-15-3-2-4-16(18(15)31-17)23(24,25)26;1-12(2)32-17-5-3-4-15-10-16(27-18(15)17)19-20-21(24)25-11-26-29(20)22(28-19)13-6-8-14(9-7-13)23(30)31/h2-4,9,11,13-14,31H,5-8,10H2,1H3,(H,28,34)(H2,27,29,30);3-5,10-14,27H,6-9H2,1-2H3,(H,30,31)(H2,24,25,26)
• InChIKey: BNBJMUBQUIQGSJ-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 245.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	905.99
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?

The IUPAC name of 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide (CID 157400228) is 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide.

What is the SMILES notation for 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?

The canonical SMILES for 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.CC(C)Oc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.

What is the InChIKey of 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?

The InChIKey is BNBJMUBQUIQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O.C23H26N6O3/c1-12(34)28-10-13-5-7-14(8-6-13)22-32-19(20-21(27)29-11-30-33(20)22)17-9-15-3-2-4-16(18(15)31-17)23(24,25)26;1-12(2)32-17-5-3-4-15-10-16(27-18(15)17)19-20-21(24)25-11-26-29(20)22(28-19)13-6-8-14(9-7-13)23(30)31/h2-4,9,11,13-14,31H,5-8,10H2,1H3,(H,28,34)(H2,27,29,30);3-5,10-14,27H,6-9H2,1-2H3,(H,30,31)(H2,24,25,26).

What are the key properties of 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?

4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide has a molecular weight of 905.99 g/mol, XLogP of 8.28, 9 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 157400228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).