7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol

C18H20F3N5O2 — CID 169117235

About 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol

7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (PubChem CID 169117235) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

Molecular Properties

• Compound Name: 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
• PubChem CID: 169117235
• Molecular Formula: C18H20F3N5O2
• Molecular Weight: 395.39 g/mol
• Exact Mass: 395.16
• IUPAC Name: 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
• SMILES: Nc1ncc2ccc(-c3ncc(CC(F)F)cc3F)n2n1.OC1CCCOC1
• InChI: InChI=1S/C13H10F3N5.C5H10O2/c14-9-3-7(4-11(15)16)5-18-12(9)10-2-1-8-6-19-13(17)20-21(8)10;6-5-2-1-3-7-4-5/h1-3,5-6,11H,4H2,(H2,17,20);5-6H,1-4H2
• InChIKey: VVKGVFLBPBODPV-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 98.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.39
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?

The IUPAC name of 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (CID 169117235) is 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

What is the SMILES notation for 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?

The canonical SMILES for 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is Nc1ncc2ccc(-c3ncc(CC(F)F)cc3F)n2n1.OC1CCCOC1.

What is the InChIKey of 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?

The InChIKey is VVKGVFLBPBODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5.C5H10O2/c14-9-3-7(4-11(15)16)5-18-12(9)10-2-1-8-6-19-13(17)20-21(8)10;6-5-2-1-3-7-4-5/h1-3,5-6,11H,4H2,(H2,17,20);5-6H,1-4H2.

What are the key properties of 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?

7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol has a molecular weight of 395.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is sourced from PubChem (CID 169117235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).