methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate

C13H18N4O2 — CID 117253238

IUPACmethyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNC(C)Cc1nc(C(=O)OC)c2cccc(N)n12
InChIInChI=1S/C13H18N4O2/c1-8(15-2)7-11-16-12(13(18)19-3)9-5-4-6-10(14)17(9)11/h4-6,8,15H,7,14H2,1-3H3
InChIKeyZKQAFHDTDNOFRV-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds4

About methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate

methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253238) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253238
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemethyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNC(C)Cc1nc(C(=O)OC)c2cccc(N)n12
InChIInChI=1S/C13H18N4O2/c1-8(15-2)7-11-16-12(13(18)19-3)9-5-4-6-10(14)17(9)11/h4-6,8,15H,7,14H2,1-3H3
InChIKeyZKQAFHDTDNOFRV-UHFFFAOYSA-N
XLogP0.85
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate (CID 117253238) is methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate is CNC(C)Cc1nc(C(=O)OC)c2cccc(N)n12.
What is the InChIKey of methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is ZKQAFHDTDNOFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(15-2)7-11-16-12(13(18)19-3)9-5-4-6-10(14)17(9)11/h4-6,8,15H,7,14H2,1-3H3.
What are the key properties of methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).