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

C16H19N5O3 — CID 165133453

IUPAC1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(C(N)CO)nc23)C1=O
InChIInChI=1S/C16H19N5O3/c1-19-14(23)7-21(16(19)24)13-4-10(9-2-3-9)5-20-6-12(11(17)8-22)18-15(13)20/h4-6,9,11,22H,2-3,7-8,17H2,1H3
InChIKeyWKKLUULKMSDNFL-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.60
Rot. Bonds4

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

1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165133453) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165133453
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(C(N)CO)nc23)C1=O
InChIInChI=1S/C16H19N5O3/c1-19-14(23)7-21(16(19)24)13-4-10(9-2-3-9)5-20-6-12(11(17)8-22)18-15(13)20/h4-6,9,11,22H,2-3,7-8,17H2,1H3
InChIKeyWKKLUULKMSDNFL-UHFFFAOYSA-N
XLogP0.60
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165133453) is 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(c2cc(C3CC3)cn3cc(C(N)CO)nc23)C1=O.
What is the InChIKey of 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is WKKLUULKMSDNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-19-14(23)7-21(16(19)24)13-4-10(9-2-3-9)5-20-6-12(11(17)8-22)18-15(13)20/h4-6,9,11,22H,2-3,7-8,17H2,1H3.
What are the key properties of 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165133453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).