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

C24H24FN7O — CID 22390536

IUPAC2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C24H24FN7O/c1-30(9-10-33)15-18-7-8-31-23(18)24(26-16-28-31)29-21-5-6-22-19(12-21)13-27-32(22)14-17-3-2-4-20(25)11-17/h2-8,11-13,16,33H,9-10,14-15H2,1H3,(H,26,28,29)
InChIKeyKAQAVWVXKVKDIM-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.43
Rot. Bonds8

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

2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol (PubChem CID 22390536) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol
PubChem CID22390536
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C24H24FN7O/c1-30(9-10-33)15-18-7-8-31-23(18)24(26-16-28-31)29-21-5-6-22-19(12-21)13-27-32(22)14-17-3-2-4-20(25)11-17/h2-8,11-13,16,33H,9-10,14-15H2,1H3,(H,26,28,29)
InChIKeyKAQAVWVXKVKDIM-UHFFFAOYSA-N
XLogP3.43
TPSA83.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol (CID 22390536) is 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol is CN(CCO)Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.
What is the InChIKey of 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol?
The InChIKey is KAQAVWVXKVKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-30(9-10-33)15-18-7-8-31-23(18)24(26-16-28-31)29-21-5-6-22-19(12-21)13-27-32(22)14-17-3-2-4-20(25)11-17/h2-8,11-13,16,33H,9-10,14-15H2,1H3,(H,26,28,29).
What are the key properties of 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol?
2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol has a molecular weight of 445.50 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 22390536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).