2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione

C16H15N3O2 — CID 142456368

IUPAC2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione
SMILESC/C(=C\N)C1=C(c2cnc3ccccn23)C(=O)CCC1=O
InChIInChI=1S/C16H15N3O2/c1-10(8-17)15-12(20)5-6-13(21)16(15)11-9-18-14-4-2-3-7-19(11)14/h2-4,7-9H,5-6,17H2,1H3/b10-8+
InChIKeyANILMPCCTUGELU-CSKARUKUSA-N
MW281.31 g/mol
LogP1.88
Rot. Bonds2

About 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione

2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione (PubChem CID 142456368) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione
PubChem CID142456368
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione
SMILESC/C(=C\N)C1=C(c2cnc3ccccn23)C(=O)CCC1=O
InChIInChI=1S/C16H15N3O2/c1-10(8-17)15-12(20)5-6-13(21)16(15)11-9-18-14-4-2-3-7-19(11)14/h2-4,7-9H,5-6,17H2,1H3/b10-8+
InChIKeyANILMPCCTUGELU-CSKARUKUSA-N
XLogP1.88
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-thiophen-2-ylimidazo[1,2-a]pyridine
CID 154553169
1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 97226980
3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 123574015
3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
CID 158740104
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
4-(10-acetyl-6-ethynyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione
CID 158475489
3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one
CID 162147656
3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-N'-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboximidamide
CID 58405976
3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
CID 158661150
3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine
CID 67241302
10-[4-(dimethylamino)piperidine-1-carbonyl]-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 161419235
3-imidazo[1,2-a]pyridin-3-yl-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione
CID 69373508

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione?
The IUPAC name of 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione (CID 142456368) is 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione is C/C(=C\N)C1=C(c2cnc3ccccn23)C(=O)CCC1=O.
What is the InChIKey of 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione?
The InChIKey is ANILMPCCTUGELU-CSKARUKUSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(8-17)15-12(20)5-6-13(21)16(15)11-9-18-14-4-2-3-7-19(11)14/h2-4,7-9H,5-6,17H2,1H3/b10-8+.
What are the key properties of 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione?
2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione has a molecular weight of 281.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-aminoprop-1-en-2-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 142456368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).