2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H14F6N6 — CID 91188921

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nn3cc(CC(F)(F)F)cc23)n[nH]1
InChIInChI=1S/C19H14F6N6/c1-10-6-15(29-28-10)26-16-14-7-11(8-18(21,22)23)9-31(14)30-17(27-16)19(24,25)12-2-4-13(20)5-3-12/h2-7,9H,8H2,1H3,(H2,26,27,28,29,30)
InChIKeyOKHDBJQJICHIPU-UHFFFAOYSA-N
MW440.35 g/mol
LogP4.89
Rot. Bonds5

About 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 91188921) has the molecular formula C19H14F6N6 and a molecular weight of 440.35 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID91188921
Molecular FormulaC19H14F6N6
Molecular Weight440.35 g/mol
Exact Mass440.12
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nn3cc(CC(F)(F)F)cc23)n[nH]1
InChIInChI=1S/C19H14F6N6/c1-10-6-15(29-28-10)26-16-14-7-11(8-18(21,22)23)9-31(14)30-17(27-16)19(24,25)12-2-4-13(20)5-3-12/h2-7,9H,8H2,1H3,(H2,26,27,28,29,30)
InChIKeyOKHDBJQJICHIPU-UHFFFAOYSA-N
XLogP4.89
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 118023034
CID 118023034
CID 11198924
CID 11198924
CID 60143346
CID 60143346
CID 54766013
CID 54766013
CID 25118925
CID 25118925
CID 135413565
CID 135413565
CID 42627755
CID 42627755
CID 6539377
CID 6539377
CID 70984064
CID 70984064
CID 118278241
CID 118278241
CID 122179546
CID 122179546
CID 135457998
CID 135457998

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 91188921) is 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nn3cc(CC(F)(F)F)cc23)n[nH]1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is OKHDBJQJICHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N6/c1-10-6-15(29-28-10)26-16-14-7-11(8-18(21,22)23)9-31(14)30-17(27-16)19(24,25)12-2-4-13(20)5-3-12/h2-7,9H,8H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 440.35 g/mol, XLogP of 4.89, 5 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]-N-(5-methyl-1H-pyrazol-3-yl)-6-(2,2,2-trifluoroethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 91188921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).