1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one

C26H26N6O2 — CID 71177536

IUPAC1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one
SMILESNc1nccnc1Oc1ccc2c(N)c(-c3ccc(N4CCCC4=O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H26N6O2/c27-23-20-11-10-19(34-26-25(28)29-12-13-30-26)15-21(20)32(18-3-1-4-18)24(23)16-6-8-17(9-7-16)31-14-2-5-22(31)33/h6-13,15,18H,1-5,14,27H2,(H2,28,29)
InChIKeyABGMJDLUTFFYBK-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.91
Rot. Bonds5

About 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one

1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one (PubChem CID 71177536) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one
PubChem CID71177536
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one
SMILESNc1nccnc1Oc1ccc2c(N)c(-c3ccc(N4CCCC4=O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H26N6O2/c27-23-20-11-10-19(34-26-25(28)29-12-13-30-26)15-21(20)32(18-3-1-4-18)24(23)16-6-8-17(9-7-16)31-14-2-5-22(31)33/h6-13,15,18H,1-5,14,27H2,(H2,28,29)
InChIKeyABGMJDLUTFFYBK-UHFFFAOYSA-N
XLogP4.91
TPSA112.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one (CID 71177536) is 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one is Nc1nccnc1Oc1ccc2c(N)c(-c3ccc(N4CCCC4=O)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one?
The InChIKey is ABGMJDLUTFFYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c27-23-20-11-10-19(34-26-25(28)29-12-13-30-26)15-21(20)32(18-3-1-4-18)24(23)16-6-8-17(9-7-16)31-14-2-5-22(31)33/h6-13,15,18H,1-5,14,27H2,(H2,28,29).
What are the key properties of 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one?
1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one has a molecular weight of 454.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 71177536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).