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

C25H20N8O3 — CID 146559652

IUPAC5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccn5ncc(C(=O)O)c5n4)cc3C2=O)n1
InChIInChI=1S/C25H20N8O3/c1-14(2)32-13-26-30-23(32)20-4-3-5-21(28-20)31-12-16-7-6-15(10-17(16)24(31)34)19-8-9-33-22(29-19)18(11-27-33)25(35)36/h3-11,13-14H,12H2,1-2H3,(H,35,36)
InChIKeyAHAUHYRKCSEXOG-UHFFFAOYSA-N
MW480.49 g/mol
LogP3.49
Rot. Bonds5

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

5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 146559652) has the molecular formula C25H20N8O3 and a molecular weight of 480.49 g/mol. Its IUPAC name is 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID146559652
Molecular FormulaC25H20N8O3
Molecular Weight480.49 g/mol
Exact Mass480.17
IUPAC Name5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccn5ncc(C(=O)O)c5n4)cc3C2=O)n1
InChIInChI=1S/C25H20N8O3/c1-14(2)32-13-26-30-23(32)20-4-3-5-21(28-20)31-12-16-7-6-15(10-17(16)24(31)34)19-8-9-33-22(29-19)18(11-27-33)25(35)36/h3-11,13-14H,12H2,1-2H3,(H,35,36)
InChIKeyAHAUHYRKCSEXOG-UHFFFAOYSA-N
XLogP3.49
TPSA131.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 146559652) is 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccn5ncc(C(=O)O)c5n4)cc3C2=O)n1.
What is the InChIKey of 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is AHAUHYRKCSEXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O3/c1-14(2)32-13-26-30-23(32)20-4-3-5-21(28-20)31-12-16-7-6-15(10-17(16)24(31)34)19-8-9-33-22(29-19)18(11-27-33)25(35)36/h3-11,13-14H,12H2,1-2H3,(H,35,36).
What are the key properties of 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 480.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146559652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).