1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C20H20N6O3 — CID 165132223

IUPAC1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(CCc4cn[nH]c(=O)c4)nc23)C1=O
InChIInChI=1S/C20H20N6O3/c1-24-18(28)11-26(20(24)29)16-7-14(13-3-4-13)9-25-10-15(22-19(16)25)5-2-12-6-17(27)23-21-8-12/h6-10,13H,2-5,11H2,1H3,(H,23,27)
InChIKeyXEGQAQNCQLLVGQ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.48
Rot. Bonds5

About 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165132223) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165132223
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(CCc4cn[nH]c(=O)c4)nc23)C1=O
InChIInChI=1S/C20H20N6O3/c1-24-18(28)11-26(20(24)29)16-7-14(13-3-4-13)9-25-10-15(22-19(16)25)5-2-12-6-17(27)23-21-8-12/h6-10,13H,2-5,11H2,1H3,(H,23,27)
InChIKeyXEGQAQNCQLLVGQ-UHFFFAOYSA-N
XLogP1.48
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(6-cyclopropyl-2-ethylimidazo[1,2-a]pyridin-8-yl)-3-methylimidazolidine-2,4-dione
CID 165133017
1-[2-(bromomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165132705
1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165132489
1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133453
1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131728
2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine
CID 165132125
1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131626
1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133229
1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133402
1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride
CID 176882992
cis-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 175616964
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide;5-fluoro-2-methylpyridine
CID 165132604

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165132223) is 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(c2cc(C3CC3)cn3cc(CCc4cn[nH]c(=O)c4)nc23)C1=O.
What is the InChIKey of 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is XEGQAQNCQLLVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-24-18(28)11-26(20(24)29)16-7-14(13-3-4-13)9-25-10-15(22-19(16)25)5-2-12-6-17(27)23-21-8-12/h6-10,13H,2-5,11H2,1H3,(H,23,27).
What are the key properties of 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 392.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-[2-(6-oxo-1H-pyridazin-4-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165132223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).