5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C27H36F3N7O2 — CID 146544486

About 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 146544486) has the molecular formula C27H36F3N7O2 and a molecular weight of 547.63 g/mol. Its IUPAC name is 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 146544486
• Molecular Formula: C27H36F3N7O2
• Molecular Weight: 547.63 g/mol
• Exact Mass: 547.29
• IUPAC Name: 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
• SMILES: COC(C)(C)C1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1
• InChI: InChI=1S/C27H36F3N7O2/c1-17-18(16-35-7-5-19(6-8-35)26(2,3)38-4)13-22-25(36-9-11-39-12-10-36)33-24(34-37(17)22)20-15-32-23(31)14-21(20)27(28,29)30/h13-15,19H,5-12,16H2,1-4H3,(H2,31,32)
• InChIKey: UXPVMZBBDIKTOG-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.63
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 146544486) is 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is COC(C)(C)C1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1.

What is the InChIKey of 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is UXPVMZBBDIKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N7O2/c1-17-18(16-35-7-5-19(6-8-35)26(2,3)38-4)13-22-25(36-9-11-39-12-10-36)33-24(34-37(17)22)20-15-32-23(31)14-21(20)27(28,29)30/h13-15,19H,5-12,16H2,1-4H3,(H2,31,32).

What are the key properties of 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 547.63 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146544486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).