3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

C20H13BrN4O2 — CID 71735028

IUPAC3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21
InChIInChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27)
InChIKeyYODSPXBTAHYILL-UHFFFAOYSA-N
MW421.25 g/mol
LogP3.16
Rot. Bonds2

About 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (PubChem CID 71735028) has the molecular formula C20H13BrN4O2 and a molecular weight of 421.25 g/mol. Its IUPAC name is 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
PubChem CID71735028
Molecular FormulaC20H13BrN4O2
Molecular Weight421.25 g/mol
Exact Mass420.02
IUPAC Name3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21
InChIInChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27)
InChIKeyYODSPXBTAHYILL-UHFFFAOYSA-N
XLogP3.16
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10029385
PKCbeta Inhibitor
CID 6419755
3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
3-[6-Fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-2-ylpyrrole-2,5-dione
CID 168273206
2-(6-Bromo-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
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CID 659780
3-Imidazo[1,2-a]pyridin-3-yl-4-[10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione
CID 11294864
31-(Dimethylamino)-5,15,25,30-tetrazaheptacyclo[27.2.2.15,12.118,25.06,11.013,17.019,24]pentatriaconta-1(31),6,8,10,12(35),13(17),18(34),19,21,23,29,32-dodecaene-14,16-dione
CID 24746625
20-(Dimethylamino)-4,14,19,26-tetrazaheptacyclo[24.6.1.17,14.118,22.02,6.08,13.027,32]pentatriaconta-1(33),2(6),7(35),8,10,12,18,20,22(34),27,29,31-dodecaene-3,5-dione
CID 24746626
3-Imidazo[1,2-a]pyridin-3-yl-4-(1,2,3,4-tetrahydropyrrolo[3,2,1-jk][1,4]benzodiazepin-7-yl)-1H-pyrrole-2,5-dione
CID 44389407
3-(1-Butylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 141451167
3-(1-Ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 141451170

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (CID 71735028) is 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is Cn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is YODSPXBTAHYILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27).
What are the key properties of 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 421.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 71735028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).