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

C20H23F4N5O2 — CID 169117432

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

5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (PubChem CID 169117432) has the molecular formula C20H23F4N5O2 and a molecular weight of 441.43 g/mol. Its IUPAC name is 5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

Molecular Properties

• Compound Name: 5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
• PubChem CID: 169117432
• Molecular Formula: C20H23F4N5O2
• Molecular Weight: 441.43 g/mol
• Exact Mass: 441.18
• IUPAC Name: 5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
• SMILES: Cc1cc(-c2cc(F)c3cnc(N)nn23)ncc1C(C)C(F)(F)F.OC1CCCOC1
• InChI: InChI=1S/C15H13F4N5.C5H10O2/c1-7-3-11(21-5-9(7)8(2)15(17,18)19)12-4-10(16)13-6-22-14(20)23-24(12)13;6-5-2-1-3-7-4-5/h3-6,8H,1-2H3,(H2,20,23);5-6H,1-4H2
• InChIKey: QCNQVGFAMONGRR-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 98.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.43
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (CID 169117432) is 5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

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

The canonical SMILES for 5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is Cc1cc(-c2cc(F)c3cnc(N)nn23)ncc1C(C)C(F)(F)F.OC1CCCOC1.

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

The InChIKey is QCNQVGFAMONGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5.C5H10O2/c1-7-3-11(21-5-9(7)8(2)15(17,18)19)12-4-10(16)13-6-22-14(20)23-24(12)13;6-5-2-1-3-7-4-5/h3-6,8H,1-2H3,(H2,20,23);5-6H,1-4H2.

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

5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol has a molecular weight of 441.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is sourced from PubChem (CID 169117432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).