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

C26H26FN7O2 — CID 10217590

IUPACN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc32)c1
InChIInChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1
InChIKeyUEJUKJJOSDYORR-QHCPKHFHSA-N
MW487.54 g/mol
LogP3.52
Rot. Bonds8

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

N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 10217590) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID10217590
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc32)c1
InChIInChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1
InChIKeyUEJUKJJOSDYORR-QHCPKHFHSA-N
XLogP3.52
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 10217590) is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]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-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc32)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UEJUKJJOSDYORR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1.
What are the key properties of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 487.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 10217590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).