4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one

C25H23FN8O — CID 10227095

IUPAC4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CCN1
InChIInChI=1S/C25H23FN8O/c26-20-3-1-2-17(10-20)13-34-22-5-4-21(11-19(22)12-29-34)31-25-24-18(6-8-33(24)30-16-28-25)14-32-9-7-27-23(35)15-32/h1-6,8,10-12,16H,7,9,13-15H2,(H,27,35)(H,28,30,31)
InChIKeyBVMZNZPGSFCWPC-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.94
Rot. Bonds6

About 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one

4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one (PubChem CID 10227095) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one
PubChem CID10227095
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CCN1
InChIInChI=1S/C25H23FN8O/c26-20-3-1-2-17(10-20)13-34-22-5-4-21(11-19(22)12-29-34)31-25-24-18(6-8-33(24)30-16-28-25)14-32-9-7-27-23(35)15-32/h1-6,8,10-12,16H,7,9,13-15H2,(H,27,35)(H,28,30,31)
InChIKeyBVMZNZPGSFCWPC-UHFFFAOYSA-N
XLogP2.94
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one 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 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one (CID 10227095) is 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one is O=C1CN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CCN1.
What is the InChIKey of 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one?
The InChIKey is BVMZNZPGSFCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c26-20-3-1-2-17(10-20)13-34-22-5-4-21(11-19(22)12-29-34)31-25-24-18(6-8-33(24)30-16-28-25)14-32-9-7-27-23(35)15-32/h1-6,8,10-12,16H,7,9,13-15H2,(H,27,35)(H,28,30,31).
What are the key properties of 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one?
4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one has a molecular weight of 470.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 10227095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).