2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol

C26H35F3N8O2 — CID 146544624

About 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol

2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 146544624) has the molecular formula C26H35F3N8O2 and a molecular weight of 548.61 g/mol. Its IUPAC name is 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol
• PubChem CID: 146544624
• Molecular Formula: C26H35F3N8O2
• Molecular Weight: 548.61 g/mol
• Exact Mass: 548.28
• IUPAC Name: 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol
• SMILES: Cc1c(CN2CCN(C(C)(C)CO)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
• InChI: InChI=1S/C26H35F3N8O2/c1-17-18(15-34-4-6-36(7-5-34)25(2,3)16-38)12-21-24(35-8-10-39-11-9-35)32-23(33-37(17)21)19-14-31-22(30)13-20(19)26(27,28)29/h12-14,38H,4-11,15-16H2,1-3H3,(H2,30,31)
• InChIKey: AYEACGKZCPIYAZ-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 108.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.61
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol?

The IUPAC name of 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol (CID 146544624) is 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol.

What is the SMILES notation for 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol?

The canonical SMILES for 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol is Cc1c(CN2CCN(C(C)(C)CO)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.

What is the InChIKey of 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol?

The InChIKey is AYEACGKZCPIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N8O2/c1-17-18(15-34-4-6-36(7-5-34)25(2,3)16-38)12-21-24(35-8-10-39-11-9-35)32-23(33-37(17)21)19-14-31-22(30)13-20(19)26(27,28)29/h12-14,38H,4-11,15-16H2,1-3H3,(H2,30,31).

What are the key properties of 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol?

2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 548.61 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 146544624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).