3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C24H22N6 — CID 46233847

IUPAC3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(-c3c[nH]c4ncc(-c5ccc(N6CCNCC6)nc5)cc34)ccc2[nH]1
InChIInChI=1S/C24H22N6/c1-3-22-17(5-6-26-22)11-16(1)21-15-29-24-20(21)12-19(14-28-24)18-2-4-23(27-13-18)30-9-7-25-8-10-30/h1-6,11-15,25-26H,7-10H2,(H,28,29)
InChIKeyNHVDBZXNGFPFSH-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.18
Rot. Bonds3

About 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 46233847) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID46233847
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(-c3c[nH]c4ncc(-c5ccc(N6CCNCC6)nc5)cc34)ccc2[nH]1
InChIInChI=1S/C24H22N6/c1-3-22-17(5-6-26-22)11-16(1)21-15-29-24-20(21)12-19(14-28-24)18-2-4-23(27-13-18)30-9-7-25-8-10-30/h1-6,11-15,25-26H,7-10H2,(H,28,29)
InChIKeyNHVDBZXNGFPFSH-UHFFFAOYSA-N
XLogP4.18
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 46233847) is 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is c1cc2cc(-c3c[nH]c4ncc(-c5ccc(N6CCNCC6)nc5)cc34)ccc2[nH]1.
What is the InChIKey of 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NHVDBZXNGFPFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-3-22-17(5-6-26-22)11-16(1)21-15-29-24-20(21)12-19(14-28-24)18-2-4-23(27-13-18)30-9-7-25-8-10-30/h1-6,11-15,25-26H,7-10H2,(H,28,29).
What are the key properties of 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 394.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 46233847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).