3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid

C16H19N3O4 — CID 117250287

IUPAC3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid
SMILESCC(C)N1CCC(c2nc(C(=O)O)c3cccc(C(=O)O)n23)C1
InChIInChI=1S/C16H19N3O4/c1-9(2)18-7-6-10(8-18)14-17-13(16(22)23)11-4-3-5-12(15(20)21)19(11)14/h3-5,9-10H,6-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOGYLHTCXVPSUCL-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.93
Rot. Bonds4

About 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid

3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid (PubChem CID 117250287) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid
PubChem CID117250287
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid
SMILESCC(C)N1CCC(c2nc(C(=O)O)c3cccc(C(=O)O)n23)C1
InChIInChI=1S/C16H19N3O4/c1-9(2)18-7-6-10(8-18)14-17-13(16(22)23)11-4-3-5-12(15(20)21)19(11)14/h3-5,9-10H,6-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOGYLHTCXVPSUCL-UHFFFAOYSA-N
XLogP1.93
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005552
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250358
5-hydroxy-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005550
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83840388
3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250436
1-chloro-3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250887
5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250402
5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252845
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone
CID 83904648
5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921
8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249728

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid (CID 117250287) is 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid is CC(C)N1CCC(c2nc(C(=O)O)c3cccc(C(=O)O)n23)C1.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
The InChIKey is OGYLHTCXVPSUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9(2)18-7-6-10(8-18)14-17-13(16(22)23)11-4-3-5-12(15(20)21)19(11)14/h3-5,9-10H,6-8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid?
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 117250287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).