methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate

C20H21N3O3 — CID 69114654

IUPACmethyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(NC2c3ccccc3CC2O)c2nc(C)c(C)n2c1
InChIInChI=1S/C20H21N3O3/c1-11-12(2)23-10-14(20(25)26-3)8-16(19(23)21-11)22-18-15-7-5-4-6-13(15)9-17(18)24/h4-8,10,17-18,22,24H,9H2,1-3H3
InChIKeyVNYQRGMIGITTPB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.81
Rot. Bonds3

About methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate

methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 69114654) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID69114654
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namemethyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(NC2c3ccccc3CC2O)c2nc(C)c(C)n2c1
InChIInChI=1S/C20H21N3O3/c1-11-12(2)23-10-14(20(25)26-3)8-16(19(23)21-11)22-18-15-7-5-4-6-13(15)9-17(18)24/h4-8,10,17-18,22,24H,9H2,1-3H3
InChIKeyVNYQRGMIGITTPB-UHFFFAOYSA-N
XLogP2.81
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate (CID 69114654) is methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(NC2c3ccccc3CC2O)c2nc(C)c(C)n2c1.
What is the InChIKey of methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is VNYQRGMIGITTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11-12(2)23-10-14(20(25)26-3)8-16(19(23)21-11)22-18-15-7-5-4-6-13(15)9-17(18)24/h4-8,10,17-18,22,24H,9H2,1-3H3.
What are the key properties of methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 69114654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).