3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

C12H18N2O3 — CID 117147808

IUPAC3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCOCCCc1ncc2n1CC(C(=O)O)CC2
InChIInChI=1S/C12H18N2O3/c1-17-6-2-3-11-13-7-10-5-4-9(12(15)16)8-14(10)11/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyHOURCLMZKCJMHW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.11
Rot. Bonds5

About 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117147808) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117147808
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCOCCCc1ncc2n1CC(C(=O)O)CC2
InChIInChI=1S/C12H18N2O3/c1-17-6-2-3-11-13-7-10-5-4-9(12(15)16)8-14(10)11/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyHOURCLMZKCJMHW-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147809
3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148215
3-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147959
3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869831
3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147829
3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147918
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83646498
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83641939
3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83664545
[3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149458
methyl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248543
methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248559

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 117147808) is 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is COCCCc1ncc2n1CC(C(=O)O)CC2.
What is the InChIKey of 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is HOURCLMZKCJMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-6-2-3-11-13-7-10-5-4-9(12(15)16)8-14(10)11/h7,9H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117147808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).