3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole

C22H21N5 — CID 57402546

IUPAC3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole
SMILESc1cnc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)cn1
InChIInChI=1S/C22H21N5/c1-4-18(27-11-9-23-10-12-27)5-2-16(1)20-14-26-21-6-3-17(13-19(20)21)22-15-24-7-8-25-22/h1-8,13-15,23,26H,9-12H2
InChIKeyNZRSCXANLQLBGL-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.70
Rot. Bonds3

About 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole

3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole (PubChem CID 57402546) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole.

Molecular Properties

Compound Name3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole
PubChem CID57402546
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole
SMILESc1cnc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)cn1
InChIInChI=1S/C22H21N5/c1-4-18(27-11-9-23-10-12-27)5-2-16(1)20-14-26-21-6-3-17(13-19(20)21)22-15-24-7-8-25-22/h1-8,13-15,23,26H,9-12H2
InChIKeyNZRSCXANLQLBGL-UHFFFAOYSA-N
XLogP3.70
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole?
The IUPAC name of 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole (CID 57402546) is 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole.
What is the SMILES notation for 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole?
The canonical SMILES for 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole is c1cnc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)cn1.
What is the InChIKey of 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole?
The InChIKey is NZRSCXANLQLBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-4-18(27-11-9-23-10-12-27)5-2-16(1)20-14-26-21-6-3-17(13-19(20)21)22-15-24-7-8-25-22/h1-8,13-15,23,26H,9-12H2.
What are the key properties of 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole?
3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole has a molecular weight of 355.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperazin-1-ylphenyl)-5-pyrazin-2-yl-1H-indole is sourced from PubChem (CID 57402546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).