methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate

C12H14N2O3 — CID 117142431

IUPACmethyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(CCCO)n12
InChIInChI=1S/C12H14N2O3/c1-17-12(16)10-5-2-4-9-8-13-11(14(9)10)6-3-7-15/h2,4-5,8,15H,3,6-7H2,1H3
InChIKeyNJCZQFAEZOXFNG-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.05
Rot. Bonds4

About methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate

methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117142431) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117142431
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(CCCO)n12
InChIInChI=1S/C12H14N2O3/c1-17-12(16)10-5-2-4-9-8-13-11(14(9)10)6-3-7-15/h2,4-5,8,15H,3,6-7H2,1H3
InChIKeyNJCZQFAEZOXFNG-UHFFFAOYSA-N
XLogP1.05
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate (CID 117142431) is methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2cnc(CCCO)n12.
What is the InChIKey of methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is NJCZQFAEZOXFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-12(16)10-5-2-4-9-8-13-11(14(9)10)6-3-7-15/h2,4-5,8,15H,3,6-7H2,1H3.
What are the key properties of methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).