2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide

C22H18N6O2 — CID 90177864

IUPAC2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1-n1ccc2cc(-c3cnc4ccnn4c3N)ccc21
InChIInChI=1S/C22H18N6O2/c23-20(29)13-30-19-4-2-1-3-18(19)27-10-8-15-11-14(5-6-17(15)27)16-12-25-21-7-9-26-28(21)22(16)24/h1-12H,13,24H2,(H2,23,29)
InChIKeyIYCFWHDEIPHKOF-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.79
Rot. Bonds5

About 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide

2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide (PubChem CID 90177864) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide
PubChem CID90177864
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1-n1ccc2cc(-c3cnc4ccnn4c3N)ccc21
InChIInChI=1S/C22H18N6O2/c23-20(29)13-30-19-4-2-1-3-18(19)27-10-8-15-11-14(5-6-17(15)27)16-12-25-21-7-9-26-28(21)22(16)24/h1-12H,13,24H2,(H2,23,29)
InChIKeyIYCFWHDEIPHKOF-UHFFFAOYSA-N
XLogP2.79
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide (CID 90177864) is 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide is NC(=O)COc1ccccc1-n1ccc2cc(-c3cnc4ccnn4c3N)ccc21.
What is the InChIKey of 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide?
The InChIKey is IYCFWHDEIPHKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c23-20(29)13-30-19-4-2-1-3-18(19)27-10-8-15-11-14(5-6-17(15)27)16-12-25-21-7-9-26-28(21)22(16)24/h1-12H,13,24H2,(H2,23,29).
What are the key properties of 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide?
2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide has a molecular weight of 398.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 90177864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).