5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

C20H19F5N8O — CID 176803733

IUPAC5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILES[2H]C([2H])([2H])N1CCC(Nc2nc(OC)c3c(-c4cnc5ncc(C(F)F)n5c4)c(F)cn3n2)C(F)(F)C1
InChIInChI=1S/C20H19F5N8O/c1-31-4-3-13(20(24,25)9-31)28-18-29-17(34-2)15-14(11(21)8-33(15)30-18)10-5-26-19-27-6-12(16(22)23)32(19)7-10/h5-8,13,16H,3-4,9H2,1-2H3,(H,28,30)/i1D3
InChIKeyQXOMDCAJUDJHDV-FIBGUPNXSA-N
MW485.44 g/mol
LogP3.28
Rot. Bonds6

About 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 176803733) has the molecular formula C20H19F5N8O and a molecular weight of 485.44 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID176803733
Molecular FormulaC20H19F5N8O
Molecular Weight485.44 g/mol
Exact Mass485.18
IUPAC Name5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILES[2H]C([2H])([2H])N1CCC(Nc2nc(OC)c3c(-c4cnc5ncc(C(F)F)n5c4)c(F)cn3n2)C(F)(F)C1
InChIInChI=1S/C20H19F5N8O/c1-31-4-3-13(20(24,25)9-31)28-18-29-17(34-2)15-14(11(21)8-33(15)30-18)10-5-26-19-27-6-12(16(22)23)32(19)7-10/h5-8,13,16H,3-4,9H2,1-2H3,(H,28,30)/i1D3
InChIKeyQXOMDCAJUDJHDV-FIBGUPNXSA-N
XLogP3.28
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657264
N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642342
5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803855
N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-5-[3-(3-fluoropropyl)benzotriazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803470
N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-fluoro-5-[3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803893
5-[3-(2,2-difluoroethyl)-7-fluorobenzimidazol-5-yl]-N-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803866
5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-N-[(4R)-3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170641945
5-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-N-(3,3-difluoro-1-methylsulfonylpiperidin-4-yl)-6-fluoro-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803799
5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643292
5-[4-diazenyl-3-(2,2-difluoroethylamino)phenyl]-N-[(4R)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 177156623
6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642954
5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803499

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 176803733) is 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is [2H]C([2H])([2H])N1CCC(Nc2nc(OC)c3c(-c4cnc5ncc(C(F)F)n5c4)c(F)cn3n2)C(F)(F)C1.
What is the InChIKey of 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is QXOMDCAJUDJHDV-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H19F5N8O/c1-31-4-3-13(20(24,25)9-31)28-18-29-17(34-2)15-14(11(21)8-33(15)30-18)10-5-26-19-27-6-12(16(22)23)32(19)7-10/h5-8,13,16H,3-4,9H2,1-2H3,(H,28,30)/i1D3.
What are the key properties of 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 485.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 176803733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).