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

C21H17FN6O — CID 22390542

IUPAC[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
SMILESOCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C21H17FN6O/c22-17-3-1-2-14(8-17)11-28-19-5-4-18(9-16(19)10-24-28)26-21-20-15(12-29)6-7-27(20)25-13-23-21/h1-10,13,29H,11-12H2,(H,23,25,26)
InChIKeyMYVUJYZUPJWAOE-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.50
Rot. Bonds5

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

[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol (PubChem CID 22390542) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol.

Molecular Properties

Compound Name[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
PubChem CID22390542
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
SMILESOCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C21H17FN6O/c22-17-3-1-2-14(8-17)11-28-19-5-4-18(9-16(19)10-24-28)26-21-20-15(12-29)6-7-27(20)25-13-23-21/h1-10,13,29H,11-12H2,(H,23,25,26)
InChIKeyMYVUJYZUPJWAOE-UHFFFAOYSA-N
XLogP3.50
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The IUPAC name of [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol (CID 22390542) is [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol.
What is the SMILES notation for [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The canonical SMILES for [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol is OCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.
What is the InChIKey of [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The InChIKey is MYVUJYZUPJWAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-17-3-1-2-14(8-17)11-28-19-5-4-18(9-16(19)10-24-28)26-21-20-15(12-29)6-7-27(20)25-13-23-21/h1-10,13,29H,11-12H2,(H,23,25,26).
What are the key properties of [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol has a molecular weight of 388.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol is sourced from PubChem (CID 22390542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).