N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine

C21H16BrN5 — CID 46778917

IUPACN-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1Br
InChIInChI=1S/C21H16BrN5/c1-13-6-7-14(10-17(13)22)25-21-20(26-19-12-23-8-9-27(19)21)16-11-24-18-5-3-2-4-15(16)18/h2-12,24-25H,1H3
InChIKeyYOJLNFQBVHHEGZ-UHFFFAOYSA-N
MW418.30 g/mol
LogP5.69
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine

N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 46778917) has the molecular formula C21H16BrN5 and a molecular weight of 418.30 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID46778917
Molecular FormulaC21H16BrN5
Molecular Weight418.30 g/mol
Exact Mass417.06
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1Br
InChIInChI=1S/C21H16BrN5/c1-13-6-7-14(10-17(13)22)25-21-20(26-19-12-23-8-9-27(19)21)16-11-24-18-5-3-2-4-15(16)18/h2-12,24-25H,1H3
InChIKeyYOJLNFQBVHHEGZ-UHFFFAOYSA-N
XLogP5.69
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.30
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine (CID 46778917) is N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine is Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is YOJLNFQBVHHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5/c1-13-6-7-14(10-17(13)22)25-21-20(26-19-12-23-8-9-27(19)21)16-11-24-18-5-3-2-4-15(16)18/h2-12,24-25H,1H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 418.30 g/mol, XLogP of 5.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 46778917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).