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

C21H20N8O — CID 130362854

IUPAC7-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cn[nH]c4c3)cc(-c3ccnn3C3CCOCC3)c12
InChIInChI=1S/C21H20N8O/c22-21-20-16(18-3-6-25-28(18)15-4-7-30-8-5-15)10-19(29(20)26-12-23-21)13-1-2-14-11-24-27-17(14)9-13/h1-3,6,9-12,15H,4-5,7-8H2,(H,24,27)(H2,22,23,26)
InChIKeyPGIWQXYGBYDQNO-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.07
Rot. Bonds3

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

7-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130362854) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 7-(1H-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-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130362854
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name7-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cn[nH]c4c3)cc(-c3ccnn3C3CCOCC3)c12
InChIInChI=1S/C21H20N8O/c22-21-20-16(18-3-6-25-28(18)15-4-7-30-8-5-15)10-19(29(20)26-12-23-21)13-1-2-14-11-24-27-17(14)9-13/h1-3,6,9-12,15H,4-5,7-8H2,(H,24,27)(H2,22,23,26)
InChIKeyPGIWQXYGBYDQNO-UHFFFAOYSA-N
XLogP3.07
TPSA111.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-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-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 130362854) is 7-(1H-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-(1H-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-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(-c3ccc4cn[nH]c4c3)cc(-c3ccnn3C3CCOCC3)c12.
What is the InChIKey of 7-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PGIWQXYGBYDQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-21-20-16(18-3-6-25-28(18)15-4-7-30-8-5-15)10-19(29(20)26-12-23-21)13-1-2-14-11-24-27-17(14)9-13/h1-3,6,9-12,15H,4-5,7-8H2,(H,24,27)(H2,22,23,26).
What are the key properties of 7-(1H-indazol-6-yl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-(1H-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 400.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-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 130362854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).