methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate

C13H17N3O3 — CID 117253837

IUPACmethyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNCCCc1nc(C(=O)OC)c2ccc(O)cn12
InChIInChI=1S/C13H17N3O3/c1-14-7-3-4-11-15-12(13(18)19-2)10-6-5-9(17)8-16(10)11/h5-6,8,14,17H,3-4,7H2,1-2H3
InChIKeyWJCNPXLSUBIYPV-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.98
Rot. Bonds5

About methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate

methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253837) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253837
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNCCCc1nc(C(=O)OC)c2ccc(O)cn12
InChIInChI=1S/C13H17N3O3/c1-14-7-3-4-11-15-12(13(18)19-2)10-6-5-9(17)8-16(10)11/h5-6,8,14,17H,3-4,7H2,1-2H3
InChIKeyWJCNPXLSUBIYPV-UHFFFAOYSA-N
XLogP0.98
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate (CID 117253837) is methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate is CNCCCc1nc(C(=O)OC)c2ccc(O)cn12.
What is the InChIKey of methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is WJCNPXLSUBIYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-7-3-4-11-15-12(13(18)19-2)10-6-5-9(17)8-16(10)11/h5-6,8,14,17H,3-4,7H2,1-2H3.
What are the key properties of methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).