3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid

C15H20N4O2 — CID 117140371

IUPAC3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCN1CCN(CCc2ncc3ccc(C(=O)O)cn23)CC1
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)5-4-14-16-10-13-3-2-12(15(20)21)11-19(13)14/h2-3,10-11H,4-9H2,1H3,(H,20,21)
InChIKeyNILJXYQOYYGSTF-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.82
Rot. Bonds4

About 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid

3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117140371) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117140371
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCN1CCN(CCc2ncc3ccc(C(=O)O)cn23)CC1
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)5-4-14-16-10-13-3-2-12(15(20)21)11-19(13)14/h2-3,10-11H,4-9H2,1H3,(H,20,21)
InChIKeyNILJXYQOYYGSTF-UHFFFAOYSA-N
XLogP0.82
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridin-5-ol
CID 117142355
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140239
3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140259
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140304
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridin-6-amine
CID 117139977
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145337
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140157
3-cyclobutylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83835844
8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine
CID 117147281
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
3-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147959

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid (CID 117140371) is 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid is CN1CCN(CCc2ncc3ccc(C(=O)O)cn23)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is NILJXYQOYYGSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)5-4-14-16-10-13-3-2-12(15(20)21)11-19(13)14/h2-3,10-11H,4-9H2,1H3,(H,20,21).
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).