3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine

C27H18N6 — CID 144630405

IUPAC3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine
SMILESc1ccc2[nH]c(-c3ccc(-c4cn5c(-c6cc7ccccc7[nH]6)cnc5cn4)cn3)cc2c1
InChIInChI=1S/C27H18N6/c1-3-7-20-17(5-1)11-23(31-20)22-10-9-19(13-28-22)25-16-33-26(14-30-27(33)15-29-25)24-12-18-6-2-4-8-21(18)32-24/h1-16,31-32H
InChIKeyWLXWDFAFQLWSND-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.09
Rot. Bonds3

About 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine

3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine (PubChem CID 144630405) has the molecular formula C27H18N6 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine
PubChem CID144630405
Molecular FormulaC27H18N6
Molecular Weight426.48 g/mol
Exact Mass426.16
IUPAC Name3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine
SMILESc1ccc2[nH]c(-c3ccc(-c4cn5c(-c6cc7ccccc7[nH]6)cnc5cn4)cn3)cc2c1
InChIInChI=1S/C27H18N6/c1-3-7-20-17(5-1)11-23(31-20)22-10-9-19(13-28-22)25-16-33-26(14-30-27(33)15-29-25)24-12-18-6-2-4-8-21(18)32-24/h1-16,31-32H
InChIKeyWLXWDFAFQLWSND-UHFFFAOYSA-N
XLogP6.09
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine (CID 144630405) is 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine is c1ccc2[nH]c(-c3ccc(-c4cn5c(-c6cc7ccccc7[nH]6)cnc5cn4)cn3)cc2c1.
What is the InChIKey of 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
The InChIKey is WLXWDFAFQLWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6/c1-3-7-20-17(5-1)11-23(31-20)22-10-9-19(13-28-22)25-16-33-26(14-30-27(33)15-29-25)24-12-18-6-2-4-8-21(18)32-24/h1-16,31-32H.
What are the key properties of 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine has a molecular weight of 426.48 g/mol, XLogP of 6.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 144630405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).