ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride

C10H17Cl2N3O2 — CID 138987520

IUPACethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cn2c(n1)CCC(N)C2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;;/h6-7H,2-5,11H2,1H3;2*1H
InChIKeyCTZQRPBXCWNYAY-UHFFFAOYSA-N
MW282.17 g/mol
LogP1.18
Rot. Bonds2

About ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride

ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride (PubChem CID 138987520) has the molecular formula C10H17Cl2N3O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride
PubChem CID138987520
Molecular FormulaC10H17Cl2N3O2
Molecular Weight282.17 g/mol
Exact Mass281.07
IUPAC Nameethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cn2c(n1)CCC(N)C2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;;/h6-7H,2-5,11H2,1H3;2*1H
InChIKeyCTZQRPBXCWNYAY-UHFFFAOYSA-N
XLogP1.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride?
The IUPAC name of ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride (CID 138987520) is ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride is CCOC(=O)c1cn2c(n1)CCC(N)C2.Cl.Cl.
What is the InChIKey of ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride?
The InChIKey is CTZQRPBXCWNYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;;/h6-7H,2-5,11H2,1H3;2*1H.
What are the key properties of ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride?
ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 138987520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).