1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea

C18H21N5O2 — CID 126831670

IUPAC1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn12
InChIInChI=1S/C18H21N5O2/c1-3-18(2,12-24)22-17(25)21-16-15(13-8-4-6-10-19-13)20-14-9-5-7-11-23(14)16/h4-11,24H,3,12H2,1-2H3,(H2,21,22,25)
InChIKeyMEOGBTHRVMXSJJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea

1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea (PubChem CID 126831670) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea
PubChem CID126831670
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn12
InChIInChI=1S/C18H21N5O2/c1-3-18(2,12-24)22-17(25)21-16-15(13-8-4-6-10-19-13)20-14-9-5-7-11-23(14)16/h4-11,24H,3,12H2,1-2H3,(H2,21,22,25)
InChIKeyMEOGBTHRVMXSJJ-UHFFFAOYSA-N
XLogP2.68
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea (CID 126831670) is 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea is CCC(C)(CO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn12.
What is the InChIKey of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea?
The InChIKey is MEOGBTHRVMXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-18(2,12-24)22-17(25)21-16-15(13-8-4-6-10-19-13)20-14-9-5-7-11-23(14)16/h4-11,24H,3,12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea?
1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea has a molecular weight of 339.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea is sourced from PubChem (CID 126831670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).