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

C18H14F3N7 — CID 143921361

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILES[H]/N=C/c1cc2c(Nc3cc(C)[nH]n3)nc(C(F)(F)c3ccc(F)cc3)nn2c1
InChIInChI=1S/C18H14F3N7/c1-10-6-15(26-25-10)23-16-14-7-11(8-22)9-28(14)27-17(24-16)18(20,21)12-2-4-13(19)5-3-12/h2-9,22H,1H3,(H2,23,24,25,26,27)/b22-8+
InChIKeyGCLDPXYEXLGGFU-GZIVZEMBSA-N
MW385.35 g/mol
LogP3.78
Rot. Bonds5

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

2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 143921361) has the molecular formula C18H14F3N7 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID143921361
Molecular FormulaC18H14F3N7
Molecular Weight385.35 g/mol
Exact Mass385.13
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILES[H]/N=C/c1cc2c(Nc3cc(C)[nH]n3)nc(C(F)(F)c3ccc(F)cc3)nn2c1
InChIInChI=1S/C18H14F3N7/c1-10-6-15(26-25-10)23-16-14-7-11(8-22)9-28(14)27-17(24-16)18(20,21)12-2-4-13(19)5-3-12/h2-9,22H,1H3,(H2,23,24,25,26,27)/b22-8+
InChIKeyGCLDPXYEXLGGFU-GZIVZEMBSA-N
XLogP3.78
TPSA94.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 143921361) is 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is [H]/N=C/c1cc2c(Nc3cc(C)[nH]n3)nc(C(F)(F)c3ccc(F)cc3)nn2c1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GCLDPXYEXLGGFU-GZIVZEMBSA-N. The full InChI is InChI=1S/C18H14F3N7/c1-10-6-15(26-25-10)23-16-14-7-11(8-22)9-28(14)27-17(24-16)18(20,21)12-2-4-13(19)5-3-12/h2-9,22H,1H3,(H2,23,24,25,26,27)/b22-8+.
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 385.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-6-methanimidoyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 143921361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).