1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C21H21N5O3 — CID 165132489

IUPAC1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(COc4cccc(N)c4)nc23)C1=O
InChIInChI=1S/C21H21N5O3/c1-24-19(27)11-26(21(24)28)18-7-14(13-5-6-13)9-25-10-16(23-20(18)25)12-29-17-4-2-3-15(22)8-17/h2-4,7-10,13H,5-6,11-12,22H2,1H3
InChIKeyHSERDGDNEJQASX-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165132489) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165132489
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(COc4cccc(N)c4)nc23)C1=O
InChIInChI=1S/C21H21N5O3/c1-24-19(27)11-26(21(24)28)18-7-14(13-5-6-13)9-25-10-16(23-20(18)25)12-29-17-4-2-3-15(22)8-17/h2-4,7-10,13H,5-6,11-12,22H2,1H3
InChIKeyHSERDGDNEJQASX-UHFFFAOYSA-N
XLogP2.77
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133402
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-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131728
trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132019
1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133453
1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride
CID 176882992
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
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-[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
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171758586

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165132489) is 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(c2cc(C3CC3)cn3cc(COc4cccc(N)c4)nc23)C1=O.
What is the InChIKey of 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is HSERDGDNEJQASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-24-19(27)11-26(21(24)28)18-7-14(13-5-6-13)9-25-10-16(23-20(18)25)12-29-17-4-2-3-15(22)8-17/h2-4,7-10,13H,5-6,11-12,22H2,1H3.
What are the key properties of 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 391.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165132489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).