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

C26H26FN7O — CID 11518459

IUPAC5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCC(Oc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1
InChIInChI=1S/C26H26FN7O/c27-19-3-1-2-17(12-19)15-34-23-9-6-21(13-18(23)14-30-34)32-26-25-24(10-11-33(25)31-16-29-26)35-22-7-4-20(28)5-8-22/h1-3,6,9-14,16,20,22H,4-5,7-8,15,28H2,(H,29,31,32)
InChIKeyLEHZPOXGMTUTAY-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.66
Rot. Bonds6

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

5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 11518459) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID11518459
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCC(Oc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1
InChIInChI=1S/C26H26FN7O/c27-19-3-1-2-17(12-19)15-34-23-9-6-21(13-18(23)14-30-34)32-26-25-24(10-11-33(25)31-16-29-26)35-22-7-4-20(28)5-8-22/h1-3,6,9-14,16,20,22H,4-5,7-8,15,28H2,(H,29,31,32)
InChIKeyLEHZPOXGMTUTAY-UHFFFAOYSA-N
XLogP4.66
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 11518459) is 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is NC1CCC(Oc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1.
What is the InChIKey of 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LEHZPOXGMTUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O/c27-19-3-1-2-17(12-19)15-34-23-9-6-21(13-18(23)14-30-34)32-26-25-24(10-11-33(25)31-16-29-26)35-22-7-4-20(28)5-8-22/h1-3,6,9-14,16,20,22H,4-5,7-8,15,28H2,(H,29,31,32).
What are the key properties of 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 471.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclohexyl)oxy-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11518459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).