7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C26H28N8O2 — CID 130363034

IUPAC7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(-c3ccnn3C3CCOCC3)c12
InChIInChI=1S/C26H28N8O2/c27-26-25-21(22-3-8-29-32(22)19-4-9-35-10-5-19)14-24(34(25)31-16-28-26)17-1-2-18-15-30-33(23(18)13-17)20-6-11-36-12-7-20/h1-3,8,13-16,19-20H,4-7,9-12H2,(H2,27,28,31)
InChIKeyLOXJAQFUMKIPPQ-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.89
Rot. Bonds4

About 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130363034) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130363034
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(-c3ccnn3C3CCOCC3)c12
InChIInChI=1S/C26H28N8O2/c27-26-25-21(22-3-8-29-32(22)19-4-9-35-10-5-19)14-24(34(25)31-16-28-26)17-1-2-18-15-30-33(23(18)13-17)20-6-11-36-12-7-20/h1-3,8,13-16,19-20H,4-7,9-12H2,(H2,27,28,31)
InChIKeyLOXJAQFUMKIPPQ-UHFFFAOYSA-N
XLogP3.89
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 130363034) is 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(-c3ccnn3C3CCOCC3)c12.
What is the InChIKey of 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LOXJAQFUMKIPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c27-26-25-21(22-3-8-29-32(22)19-4-9-35-10-5-19)14-24(34(25)31-16-28-26)17-1-2-18-15-30-33(23(18)13-17)20-6-11-36-12-7-20/h1-3,8,13-16,19-20H,4-7,9-12H2,(H2,27,28,31).
What are the key properties of 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 484.56 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(oxan-4-yl)indazol-6-yl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130363034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).