3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C20H16N6O2 — CID 24968580

IUPAC3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4cnc(CN)cn34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H16N6O2/c1-25-10-13(12-4-2-3-5-14(12)25)17-18(20(28)24-19(17)27)15-7-23-16-8-22-11(6-21)9-26(15)16/h2-5,7-10H,6,21H2,1H3,(H,24,27,28)
InChIKeyJWUCKOQVJABFIR-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.25
Rot. Bonds3

About 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 24968580) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID24968580
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4cnc(CN)cn34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H16N6O2/c1-25-10-13(12-4-2-3-5-14(12)25)17-18(20(28)24-19(17)27)15-7-23-16-8-22-11(6-21)9-26(15)16/h2-5,7-10H,6,21H2,1H3,(H,24,27,28)
InChIKeyJWUCKOQVJABFIR-UHFFFAOYSA-N
XLogP1.25
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 24968580) is 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cnc4cnc(CN)cn34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is JWUCKOQVJABFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-25-10-13(12-4-2-3-5-14(12)25)17-18(20(28)24-19(17)27)15-7-23-16-8-22-11(6-21)9-26(15)16/h2-5,7-10H,6,21H2,1H3,(H,24,27,28).
What are the key properties of 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 372.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 24968580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).