5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C25H30F3N7O2 — CID 146544501

About 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 146544501) has the molecular formula C25H30F3N7O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 146544501
• Molecular Formula: C25H30F3N7O2
• Molecular Weight: 517.56 g/mol
• Exact Mass: 517.24
• IUPAC Name: 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
• SMILES: Cc1c(CN2CC3(CCOCC3)C2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
• InChI: InChI=1S/C25H30F3N7O2/c1-16-17(13-33-14-24(15-33)2-6-36-7-3-24)10-20-23(34-4-8-37-9-5-34)31-22(32-35(16)20)18-12-30-21(29)11-19(18)25(26,27)28/h10-12H,2-9,13-15H2,1H3,(H2,29,30)
• InChIKey: IEMWQTPZLMPULB-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.56
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 146544501) is 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is Cc1c(CN2CC3(CCOCC3)C2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.

What is the InChIKey of 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is IEMWQTPZLMPULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O2/c1-16-17(13-33-14-24(15-33)2-6-36-7-3-24)10-20-23(34-4-8-37-9-5-34)31-22(32-35(16)20)18-12-30-21(29)11-19(18)25(26,27)28/h10-12H,2-9,13-15H2,1H3,(H2,29,30).

What are the key properties of 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?

5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 517.56 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146544501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).