methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate

C11H14N4O2 — CID 117254299

IUPACmethyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C(C)N)n2ccc(N)cc12
InChIInChI=1S/C11H14N4O2/c1-6(12)10-14-9(11(16)17-2)8-5-7(13)3-4-15(8)10/h3-6H,12-13H2,1-2H3
InChIKeyFWSSQHBPRKBFMP-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.72
Rot. Bonds2

About methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254299) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254299
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namemethyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C(C)N)n2ccc(N)cc12
InChIInChI=1S/C11H14N4O2/c1-6(12)10-14-9(11(16)17-2)8-5-7(13)3-4-15(8)10/h3-6H,12-13H2,1-2H3
InChIKeyFWSSQHBPRKBFMP-UHFFFAOYSA-N
XLogP0.72
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254267
3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254300
1-methyl-3-propan-2-ylimidazo[1,5-a]pyridin-7-amine
CID 83829303
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984145
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518
methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117253236
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024
methyl 5-bromo-1-methyl-2-propan-2-ylimidazole-4-carboxylate
CID 170432111
methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254222

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117254299) is methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C(C)N)n2ccc(N)cc12.
What is the InChIKey of methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is FWSSQHBPRKBFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(12)10-14-9(11(16)17-2)8-5-7(13)3-4-15(8)10/h3-6H,12-13H2,1-2H3.
What are the key properties of methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).