5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C24H29F3N8O — CID 146544513

About 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 146544513) has the molecular formula C24H29F3N8O and a molecular weight of 502.55 g/mol. Its IUPAC name is 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 146544513
• Molecular Formula: C24H29F3N8O
• Molecular Weight: 502.55 g/mol
• Exact Mass: 502.24
• IUPAC Name: 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
• SMILES: Cc1c(CN2CC3(CN(C)C3)C2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
• InChI: InChI=1S/C24H29F3N8O/c1-15-16(10-33-13-23(14-33)11-32(2)12-23)7-19-22(34-3-5-36-6-4-34)30-21(31-35(15)19)17-9-29-20(28)8-18(17)24(25,26)27/h7-9H,3-6,10-14H2,1-2H3,(H2,28,29)
• InChIKey: SPAQAVDVTRJHLR-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 88.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.55
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 146544513) is 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is Cc1c(CN2CC3(CN(C)C3)C2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.

What is the InChIKey of 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is SPAQAVDVTRJHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N8O/c1-15-16(10-33-13-23(14-33)11-32(2)12-23)7-19-22(34-3-5-36-6-4-34)30-21(31-35(15)19)17-9-29-20(28)8-18(17)24(25,26)27/h7-9H,3-6,10-14H2,1-2H3,(H2,28,29).

What are the key properties of 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 502.55 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-methyl-6-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146544513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).