methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride

C13H17Cl2N3O2 — CID 165131040

IUPACmethyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
SMILESCOC(=O)c1cc(C2CC2)cn2cc(CN)nc12.Cl.Cl
InChIInChI=1S/C13H15N3O2.2ClH/c1-18-13(17)11-4-9(8-2-3-8)6-16-7-10(5-14)15-12(11)16;;/h4,6-8H,2-3,5,14H2,1H3;2*1H
InChIKeyGKGYMJAPJOWVGC-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride

methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride (PubChem CID 165131040) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
PubChem CID165131040
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Namemethyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
SMILESCOC(=O)c1cc(C2CC2)cn2cc(CN)nc12.Cl.Cl
InChIInChI=1S/C13H15N3O2.2ClH/c1-18-13(17)11-4-9(8-2-3-8)6-16-7-10(5-14)15-12(11)16;;/h4,6-8H,2-3,5,14H2,1H3;2*1H
InChIKeyGKGYMJAPJOWVGC-UHFFFAOYSA-N
XLogP2.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride?
The IUPAC name of methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride (CID 165131040) is methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride?
The canonical SMILES for methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride is COC(=O)c1cc(C2CC2)cn2cc(CN)nc12.Cl.Cl.
What is the InChIKey of methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride?
The InChIKey is GKGYMJAPJOWVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.2ClH/c1-18-13(17)11-4-9(8-2-3-8)6-16-7-10(5-14)15-12(11)16;;/h4,6-8H,2-3,5,14H2,1H3;2*1H.
What are the key properties of methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride?
methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride has a molecular weight of 318.20 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride is sourced from PubChem (CID 165131040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).