[(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate

C18H25N3O2 — CID 150613204

IUPAC[(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate
SMILESCC(=O)OCNc1c(C2CCCCC2)nc2cc(C)cc(C)n12
InChIInChI=1S/C18H25N3O2/c1-12-9-13(2)21-16(10-12)20-17(15-7-5-4-6-8-15)18(21)19-11-23-14(3)22/h9-10,15,19H,4-8,11H2,1-3H3
InChIKeyIUIQEKMWPXOSFD-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.93
Rot. Bonds4

About [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate

[(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate (PubChem CID 150613204) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate.

Molecular Properties

Compound Name[(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate
PubChem CID150613204
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate
SMILESCC(=O)OCNc1c(C2CCCCC2)nc2cc(C)cc(C)n12
InChIInChI=1S/C18H25N3O2/c1-12-9-13(2)21-16(10-12)20-17(15-7-5-4-6-8-15)18(21)19-11-23-14(3)22/h9-10,15,19H,4-8,11H2,1-3H3
InChIKeyIUIQEKMWPXOSFD-UHFFFAOYSA-N
XLogP3.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate?
The IUPAC name of [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate (CID 150613204) is [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate.
What is the SMILES notation for [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate?
The canonical SMILES for [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate is CC(=O)OCNc1c(C2CCCCC2)nc2cc(C)cc(C)n12.
What is the InChIKey of [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate?
The InChIKey is IUIQEKMWPXOSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-9-13(2)21-16(10-12)20-17(15-7-5-4-6-8-15)18(21)19-11-23-14(3)22/h9-10,15,19H,4-8,11H2,1-3H3.
What are the key properties of [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate?
[(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate has a molecular weight of 315.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]methyl acetate is sourced from PubChem (CID 150613204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).