[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C21H20N2O3 — CID 46822325

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OC(C)C(=O)c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C21H20N2O3/c1-13-8-9-23-12-18(22-19(23)10-13)21(25)26-14(2)20(24)17-7-6-15-4-3-5-16(15)11-17/h6-12,14H,3-5H2,1-2H3
InChIKeyKOXACTYPDIPYOS-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.56
Rot. Bonds4

About [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 46822325) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID46822325
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OC(C)C(=O)c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C21H20N2O3/c1-13-8-9-23-12-18(22-19(23)10-13)21(25)26-14(2)20(24)17-7-6-15-4-3-5-16(15)11-17/h6-12,14H,3-5H2,1-2H3
InChIKeyKOXACTYPDIPYOS-UHFFFAOYSA-N
XLogP3.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 7743797
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204098
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737773
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate
CID 7759501
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170377
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834734
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7866252
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7490560
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7785718
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 46822277

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 46822325) is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1ccn2cc(C(=O)OC(C)C(=O)c3ccc4c(c3)CCC4)nc2c1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is KOXACTYPDIPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-8-9-23-12-18(22-19(23)10-13)21(25)26-14(2)20(24)17-7-6-15-4-3-5-16(15)11-17/h6-12,14H,3-5H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 46822325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).