3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

C12H16N2O4 — CID 117247759

IUPAC3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
SMILESCCCc1nc(C(=O)O)c2n1C(C(=O)O)CCC2
InChIInChI=1S/C12H16N2O4/c1-2-4-9-13-10(12(17)18)7-5-3-6-8(11(15)16)14(7)9/h8H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyJEXBTYVJEUURGX-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.50
Rot. Bonds4

About 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (PubChem CID 117247759) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
PubChem CID117247759
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
SMILESCCCc1nc(C(=O)O)c2n1C(C(=O)O)CCC2
InChIInChI=1S/C12H16N2O4/c1-2-4-9-13-10(12(17)18)7-5-3-6-8(11(15)16)14(7)9/h8H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyJEXBTYVJEUURGX-UHFFFAOYSA-N
XLogP1.50
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247779
5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 112552424
1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247370
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446
3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247715
3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247620
(5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552614
3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984197
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005447
5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247597
3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984193
3-ethyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83834111

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The IUPAC name of 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (CID 117247759) is 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.
What is the SMILES notation for 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The canonical SMILES for 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is CCCc1nc(C(=O)O)c2n1C(C(=O)O)CCC2.
What is the InChIKey of 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The InChIKey is JEXBTYVJEUURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-4-9-13-10(12(17)18)7-5-3-6-8(11(15)16)14(7)9/h8H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 117247759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).