N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine

C21H27N3O3 — CID 89263732

IUPACN-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOOCc1ccn2c(NC3CCCCC3)c(/C=C/C3=CCCO3)nc2c1
InChIInChI=1S/C21H27N3O3/c1-25-27-15-16-11-12-24-20(14-16)23-19(10-9-18-8-5-13-26-18)21(24)22-17-6-3-2-4-7-17/h8-12,14,17,22H,2-7,13,15H2,1H3/b10-9+
InChIKeyLGAHHFWQXBPRIF-MDZDMXLPSA-N
MW369.47 g/mol
LogP4.47
Rot. Bonds7

About N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 89263732) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID89263732
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOOCc1ccn2c(NC3CCCCC3)c(/C=C/C3=CCCO3)nc2c1
InChIInChI=1S/C21H27N3O3/c1-25-27-15-16-11-12-24-20(14-16)23-19(10-9-18-8-5-13-26-18)21(24)22-17-6-3-2-4-7-17/h8-12,14,17,22H,2-7,13,15H2,1H3/b10-9+
InChIKeyLGAHHFWQXBPRIF-MDZDMXLPSA-N
XLogP4.47
TPSA57.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine (CID 89263732) is N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine is COOCc1ccn2c(NC3CCCCC3)c(/C=C/C3=CCCO3)nc2c1.
What is the InChIKey of N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is LGAHHFWQXBPRIF-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-25-27-15-16-11-12-24-20(14-16)23-19(10-9-18-8-5-13-26-18)21(24)22-17-6-3-2-4-7-17/h8-12,14,17,22H,2-7,13,15H2,1H3/b10-9+.
What are the key properties of N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 369.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-7-(methylperoxymethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 89263732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).