7-[3-methyl-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

C27H30N8O2 — CID 130362870

IUPAC7-[3-methyl-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
SMILESCc1nn(C2CCOCC2)c2cc(-c3cc(-c4ccnn4C4CCOCC4)c4c(N)ncnn34)ccc12
InChIInChI=1S/C27H30N8O2/c1-17-21-3-2-18(14-25(21)34(32-17)20-7-12-37-13-8-20)24-15-22(26-27(28)29-16-31-35(24)26)23-4-9-30-33(23)19-5-10-36-11-6-19/h2-4,9,14-16,19-20H,5-8,10-13H2,1H3,(H2,28,29,31)
InChIKeyNTTRJOPNLYYLLI-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.20
Rot. Bonds4

About 7-[3-methyl-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-[3-methyl-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 130362870) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 7-[3-methyl-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-[3-methyl-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 CID130362870
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name7-[3-methyl-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
SMILESCc1nn(C2CCOCC2)c2cc(-c3cc(-c4ccnn4C4CCOCC4)c4c(N)ncnn34)ccc12
InChIInChI=1S/C27H30N8O2/c1-17-21-3-2-18(14-25(21)34(32-17)20-7-12-37-13-8-20)24-15-22(26-27(28)29-16-31-35(24)26)23-4-9-30-33(23)19-5-10-36-11-6-19/h2-4,9,14-16,19-20H,5-8,10-13H2,1H3,(H2,28,29,31)
InChIKeyNTTRJOPNLYYLLI-UHFFFAOYSA-N
XLogP4.20
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[3-methyl-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-[3-methyl-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 130362870) is 7-[3-methyl-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-[3-methyl-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-[3-methyl-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 Cc1nn(C2CCOCC2)c2cc(-c3cc(-c4ccnn4C4CCOCC4)c4c(N)ncnn34)ccc12.
What is the InChIKey of 7-[3-methyl-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 NTTRJOPNLYYLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-17-21-3-2-18(14-25(21)34(32-17)20-7-12-37-13-8-20)24-15-22(26-27(28)29-16-31-35(24)26)23-4-9-30-33(23)19-5-10-36-11-6-19/h2-4,9,14-16,19-20H,5-8,10-13H2,1H3,(H2,28,29,31).
What are the key properties of 7-[3-methyl-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-[3-methyl-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 498.59 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methyl-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 130362870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).