(3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol

C15H19F3N4O2 — CID 169118013

IUPAC(3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
SMILESCC(C)c1c(C(F)F)c(F)c2cnc(N[C@@H]3CCOC[C@H]3O)nn12
InChIInChI=1S/C15H19F3N4O2/c1-7(2)13-11(14(17)18)12(16)9-5-19-15(21-22(9)13)20-8-3-4-24-6-10(8)23/h5,7-8,10,14,23H,3-4,6H2,1-2H3,(H,20,21)/t8-,10-/m1/s1
InChIKeyMGWLKINZONAKBW-PSASIEDQSA-N
MW344.34 g/mol
LogP2.49
Rot. Bonds4

About (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol

(3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol (PubChem CID 169118013) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
PubChem CID169118013
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name(3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
SMILESCC(C)c1c(C(F)F)c(F)c2cnc(N[C@@H]3CCOC[C@H]3O)nn12
InChIInChI=1S/C15H19F3N4O2/c1-7(2)13-11(14(17)18)12(16)9-5-19-15(21-22(9)13)20-8-3-4-24-6-10(8)23/h5,7-8,10,14,23H,3-4,6H2,1-2H3,(H,20,21)/t8-,10-/m1/s1
InChIKeyMGWLKINZONAKBW-PSASIEDQSA-N
XLogP2.49
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol with MolForge

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Related Compounds

(3S,4R)-4-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxolan-3-ol
CID 168218802
(3R,4R)-4-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 168219641
(3S,4R)-4-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 168220496
[(2R,5S)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]tetrahydropyran-2-yl]methanol
CID 163304074
[(2S,5R)-5-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]tetrahydropyran-2-yl]methanol
CID 163304101
US20250163063, Example 584
CID 169116917
US20250163063, Example 359
CID 169116927
US20250163063, Example 549
CID 169116932
US20250163063, Example 362
CID 169116938
US20250163063, Example 601
CID 169116939
US20250163063, Example 604
CID 169116947
US20250163063, Example 127
CID 169116960

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol?
The IUPAC name of (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol (CID 169118013) is (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol.
What is the SMILES notation for (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol?
The canonical SMILES for (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol is CC(C)c1c(C(F)F)c(F)c2cnc(N[C@@H]3CCOC[C@H]3O)nn12.
What is the InChIKey of (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol?
The InChIKey is MGWLKINZONAKBW-PSASIEDQSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-7(2)13-11(14(17)18)12(16)9-5-19-15(21-22(9)13)20-8-3-4-24-6-10(8)23/h5,7-8,10,14,23H,3-4,6H2,1-2H3,(H,20,21)/t8-,10-/m1/s1.
What are the key properties of (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol?
(3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol has a molecular weight of 344.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol is sourced from PubChem (CID 169118013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).