methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride

C10H16ClN3O2 — CID 138040314

IUPACmethyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2n1CCC(CN)C2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-10(14)8-6-12-9-4-7(5-11)2-3-13(8)9;/h6-7H,2-5,11H2,1H3;1H
InChIKeyDQZRLHUTLFTOBR-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.61
Rot. Bonds2

About methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride

methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride (PubChem CID 138040314) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
PubChem CID138040314
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Namemethyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2n1CCC(CN)C2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-10(14)8-6-12-9-4-7(5-11)2-3-13(8)9;/h6-7H,2-5,11H2,1H3;1H
InChIKeyDQZRLHUTLFTOBR-UHFFFAOYSA-N
XLogP0.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 5H,6H,7H,8H-imidazo(1,2-a)pyrimidine-2-carboxylate
CID 135779061
Methyl imidazo[1,2-A]pyrazine-2-carboxylate
CID 13247044
ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylate
CID 12745958
5H,6H,7H,8H-imidazo(1,2-a)pyridine-2-carboxylic acid hydrochloride
CID 66824378
5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride
CID 75525933
7-methoxy-5H,6H,7H,8H-imidazo(1,2-a)pyridine-2-carboxylic acid
CID 126838155
ethyl 2-cyclohexyl-1H-imidazole-4-carboxylate
CID 3006263
Ethyl 5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-2-carboxylate
CID 54775355
6-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylic acid hydrochloride
CID 126838156
ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-3-carboxylate
CID 137229698
6-amino-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylic acid dihydrochloride
CID 137943831
ethyl 6-amino-5H,6H,7H,8H-imidazo(1,2-a)pyridine-2-carboxylate dihydrochloride
CID 138987520

Frequently Asked Questions

What is the IUPAC name of methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride (CID 138040314) is methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride is COC(=O)c1cnc2n1CCC(CN)C2.Cl.
What is the InChIKey of methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride?
The InChIKey is DQZRLHUTLFTOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-15-10(14)8-6-12-9-4-7(5-11)2-3-13(8)9;/h6-7H,2-5,11H2,1H3;1H.
What are the key properties of methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride?
methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 138040314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).