N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C25H24FN7 — CID 22390502

IUPACN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCC6)c45)ccc32)c1
InChIInChI=1S/C25H24FN7/c26-21-5-3-4-18(12-21)15-33-23-7-6-22(13-20(23)14-28-33)30-25-24-19(16-31-9-1-2-10-31)8-11-32(24)29-17-27-25/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,27,29,30)
InChIKeyPDXYGSYLHJULFZ-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.61
Rot. Bonds6

About N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 22390502) has the molecular formula C25H24FN7 and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID22390502
Molecular FormulaC25H24FN7
Molecular Weight441.51 g/mol
Exact Mass441.21
IUPAC NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCC6)c45)ccc32)c1
InChIInChI=1S/C25H24FN7/c26-21-5-3-4-18(12-21)15-33-23-7-6-22(13-20(23)14-28-33)30-25-24-19(16-31-9-1-2-10-31)8-11-32(24)29-17-27-25/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,27,29,30)
InChIKeyPDXYGSYLHJULFZ-UHFFFAOYSA-N
XLogP4.61
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)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 N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 22390502) is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCC6)c45)ccc32)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PDXYGSYLHJULFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7/c26-21-5-3-4-18(12-21)15-33-23-7-6-22(13-20(23)14-28-33)30-25-24-19(16-31-9-1-2-10-31)8-11-32(24)29-17-27-25/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,27,29,30).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 441.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(pyrrolidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 22390502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).