3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C28H22N6O3 — CID 19696310

IUPAC3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCN(C(=O)n3ccnc3)C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H22N6O3/c1-31-14-19(17-6-2-4-8-20(17)31)24-25(27(36)30-26(24)35)23-18-7-3-5-9-21(18)34-13-12-32(15-22(23)34)28(37)33-11-10-29-16-33/h2-11,14,16H,12-13,15H2,1H3,(H,30,35,36)
InChIKeyBBXVGRPVPQOWHY-UHFFFAOYSA-N
MW490.52 g/mol
LogP3.38
Rot. Bonds2

About 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 19696310) has the molecular formula C28H22N6O3 and a molecular weight of 490.52 g/mol. Its IUPAC name is 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID19696310
Molecular FormulaC28H22N6O3
Molecular Weight490.52 g/mol
Exact Mass490.18
IUPAC Name3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCN(C(=O)n3ccnc3)C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H22N6O3/c1-31-14-19(17-6-2-4-8-20(17)31)24-25(27(36)30-26(24)35)23-18-7-3-5-9-21(18)34-13-12-32(15-22(23)34)28(37)33-11-10-29-16-33/h2-11,14,16H,12-13,15H2,1H3,(H,30,35,36)
InChIKeyBBXVGRPVPQOWHY-UHFFFAOYSA-N
XLogP3.38
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
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-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 19696310) is 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c4n(c5ccccc35)CCN(C(=O)n3ccnc3)C4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is BBXVGRPVPQOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O3/c1-31-14-19(17-6-2-4-8-20(17)31)24-25(27(36)30-26(24)35)23-18-7-3-5-9-21(18)34-13-12-32(15-22(23)34)28(37)33-11-10-29-16-33/h2-11,14,16H,12-13,15H2,1H3,(H,30,35,36).
What are the key properties of 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 490.52 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(imidazole-1-carbonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 19696310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).