1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C18H20N6O2 — CID 156860922

IUPAC1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc3c(C#CCN4CCNCC4)cccn23)C(=O)N1
InChIInChI=1S/C18H20N6O2/c25-15-5-10-24(18(26)21-15)16-13-20-17-14(4-2-9-23(16)17)3-1-8-22-11-6-19-7-12-22/h2,4,9,13,19H,5-8,10-12H2,(H,21,25,26)
InChIKeyQVRCWQQTOUGATI-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.04
Rot. Bonds2

About 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 156860922) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID156860922
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc3c(C#CCN4CCNCC4)cccn23)C(=O)N1
InChIInChI=1S/C18H20N6O2/c25-15-5-10-24(18(26)21-15)16-13-20-17-14(4-2-9-23(16)17)3-1-8-22-11-6-19-7-12-22/h2,4,9,13,19H,5-8,10-12H2,(H,21,25,26)
InChIKeyQVRCWQQTOUGATI-UHFFFAOYSA-N
XLogP0.04
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(8-ethylimidazo[1,2-a]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 156795368
1-(8-methylimidazo[1,2-a]pyridin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156861037
tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
CID 167106508
5-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]pent-4-ynal
CID 156860348
3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine
CID 163399839
1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 170749696
1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 174183211
4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
CID 164648652
1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 176736496
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 70200878
1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 156860561
tert-butyl 4-[3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
CID 163399931

Frequently Asked Questions

What is the IUPAC name of 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 156860922) is 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cnc3c(C#CCN4CCNCC4)cccn23)C(=O)N1.
What is the InChIKey of 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QVRCWQQTOUGATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-15-5-10-24(18(26)21-15)16-13-20-17-14(4-2-9-23(16)17)3-1-8-22-11-6-19-7-12-22/h2,4,9,13,19H,5-8,10-12H2,(H,21,25,26).
What are the key properties of 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 352.40 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156860922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).