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

C26H34FN7O — CID 70927355

IUPAC2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCN(CCC)CCCOC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C26H34FN7O/c1-4-13-33(14-5-2)15-7-17-35-24(20-9-11-21(27)12-10-20)26-29-25(22-8-6-16-34(22)32-26)28-23-18-19(3)30-31-23/h6,8-12,16,18,24H,4-5,7,13-15,17H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyLVFANQBQWNTQRP-UHFFFAOYSA-N
MW479.60 g/mol
LogP5.26
Rot. Bonds13

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

2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 70927355) has the molecular formula C26H34FN7O and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID70927355
Molecular FormulaC26H34FN7O
Molecular Weight479.60 g/mol
Exact Mass479.28
IUPAC Name2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCN(CCC)CCCOC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C26H34FN7O/c1-4-13-33(14-5-2)15-7-17-35-24(20-9-11-21(27)12-10-20)26-29-25(22-8-6-16-34(22)32-26)28-23-18-19(3)30-31-23/h6,8-12,16,18,24H,4-5,7,13-15,17H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyLVFANQBQWNTQRP-UHFFFAOYSA-N
XLogP5.26
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-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-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 70927355) is 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCCN(CCC)CCCOC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1.
What is the InChIKey of 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LVFANQBQWNTQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN7O/c1-4-13-33(14-5-2)15-7-17-35-24(20-9-11-21(27)12-10-20)26-29-25(22-8-6-16-34(22)32-26)28-23-18-19(3)30-31-23/h6,8-12,16,18,24H,4-5,7,13-15,17H2,1-3H3,(H2,28,29,30,31,32).
What are the key properties of 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 479.60 g/mol, XLogP of 5.26, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dipropylamino)propoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 70927355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).