2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H10F4N6 — CID 44621775

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(C(F)(F)c2nc(Nc3ccn[nH]3)c3cc(F)cn3n2)cc1
InChIInChI=1S/C16H10F4N6/c17-10-3-1-9(2-4-10)16(19,20)15-23-14(22-13-5-6-21-24-13)12-7-11(18)8-26(12)25-15/h1-8H,(H2,21,22,23,24,25)
InChIKeySJTPWPHQCUZCQC-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.61
Rot. Bonds4

About 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 44621775) has the molecular formula C16H10F4N6 and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID44621775
Molecular FormulaC16H10F4N6
Molecular Weight362.29 g/mol
Exact Mass362.09
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(C(F)(F)c2nc(Nc3ccn[nH]3)c3cc(F)cn3n2)cc1
InChIInChI=1S/C16H10F4N6/c17-10-3-1-9(2-4-10)16(19,20)15-23-14(22-13-5-6-21-24-13)12-7-11(18)8-26(12)25-15/h1-8H,(H2,21,22,23,24,25)
InChIKeySJTPWPHQCUZCQC-UHFFFAOYSA-N
XLogP3.61
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 44621775) is 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1ccc(C(F)(F)c2nc(Nc3ccn[nH]3)c3cc(F)cn3n2)cc1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is SJTPWPHQCUZCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6/c17-10-3-1-9(2-4-10)16(19,20)15-23-14(22-13-5-6-21-24-13)12-7-11(18)8-26(12)25-15/h1-8H,(H2,21,22,23,24,25).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 362.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-6-fluoro-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 44621775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).