6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C26H21N7O3 — CID 146559603

IUPAC6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5ncc(C(=O)O)n5c4)cc3C2=O)n1
InChIInChI=1S/C26H21N7O3/c1-15(2)33-14-28-30-24(33)20-4-3-5-23(29-20)32-13-18-7-6-16(10-19(18)25(32)34)17-8-9-22-27-11-21(26(35)36)31(22)12-17/h3-12,14-15H,13H2,1-2H3,(H,35,36)
InChIKeyYJLOAGQVBRDJBE-UHFFFAOYSA-N
MW479.50 g/mol
LogP4.09
Rot. Bonds5

About 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 146559603) has the molecular formula C26H21N7O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID146559603
Molecular FormulaC26H21N7O3
Molecular Weight479.50 g/mol
Exact Mass479.17
IUPAC Name6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5ncc(C(=O)O)n5c4)cc3C2=O)n1
InChIInChI=1S/C26H21N7O3/c1-15(2)33-14-28-30-24(33)20-4-3-5-23(29-20)32-13-18-7-6-16(10-19(18)25(32)34)17-8-9-22-27-11-21(26(35)36)31(22)12-17/h3-12,14-15H,13H2,1-2H3,(H,35,36)
InChIKeyYJLOAGQVBRDJBE-UHFFFAOYSA-N
XLogP4.09
TPSA118.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 146559603) is 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5ncc(C(=O)O)n5c4)cc3C2=O)n1.
What is the InChIKey of 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is YJLOAGQVBRDJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O3/c1-15(2)33-14-28-30-24(33)20-4-3-5-23(29-20)32-13-18-7-6-16(10-19(18)25(32)34)17-8-9-22-27-11-21(26(35)36)31(22)12-17/h3-12,14-15H,13H2,1-2H3,(H,35,36).
What are the key properties of 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 479.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 146559603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).