5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine

C21H22N6 — CID 71123045

IUPAC5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine
SMILESNc1cc(-c2ccnc(-c3ccc4cc[nH]c4c3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C21H22N6/c22-17-13-20(26-21(17)27-9-7-23-8-10-27)16-4-6-25-19(12-16)15-2-1-14-3-5-24-18(14)11-15/h1-6,11-13,23-24,26H,7-10,22H2
InChIKeyQCTBYKFEGXENPP-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.22
Rot. Bonds3

About 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine

5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine (PubChem CID 71123045) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine
PubChem CID71123045
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine
SMILESNc1cc(-c2ccnc(-c3ccc4cc[nH]c4c3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C21H22N6/c22-17-13-20(26-21(17)27-9-7-23-8-10-27)16-4-6-25-19(12-16)15-2-1-14-3-5-24-18(14)11-15/h1-6,11-13,23-24,26H,7-10,22H2
InChIKeyQCTBYKFEGXENPP-UHFFFAOYSA-N
XLogP3.22
TPSA85.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
The IUPAC name of 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine (CID 71123045) is 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine.
What is the SMILES notation for 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
The canonical SMILES for 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine is Nc1cc(-c2ccnc(-c3ccc4cc[nH]c4c3)c2)[nH]c1N1CCNCC1.
What is the InChIKey of 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
The InChIKey is QCTBYKFEGXENPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c22-17-13-20(26-21(17)27-9-7-23-8-10-27)16-4-6-25-19(12-16)15-2-1-14-3-5-24-18(14)11-15/h1-6,11-13,23-24,26H,7-10,22H2.
What are the key properties of 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine has a molecular weight of 358.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine is sourced from PubChem (CID 71123045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).