5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile

C24H21N5O2 — CID 118551835

IUPAC5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C24H21N5O2/c25-12-16-10-15(4-5-23(16)31-17-6-8-30-9-7-17)18-2-1-3-20-19(18)11-21(28-20)22-13-27-14-24(26)29-22/h1-5,10-11,13-14,17,28H,6-9H2,(H2,26,29)
InChIKeyAXOPHTXNOHKWKV-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.30
Rot. Bonds4

About 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 118551835) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID118551835
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C24H21N5O2/c25-12-16-10-15(4-5-23(16)31-17-6-8-30-9-7-17)18-2-1-3-20-19(18)11-21(28-20)22-13-27-14-24(26)29-22/h1-5,10-11,13-14,17,28H,6-9H2,(H2,26,29)
InChIKeyAXOPHTXNOHKWKV-UHFFFAOYSA-N
XLogP4.30
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile (CID 118551835) is 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2cccc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is AXOPHTXNOHKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-12-16-10-15(4-5-23(16)31-17-6-8-30-9-7-17)18-2-1-3-20-19(18)11-21(28-20)22-13-27-14-24(26)29-22/h1-5,10-11,13-14,17,28H,6-9H2,(H2,26,29).
What are the key properties of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 411.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 118551835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).