6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H27N5O2S — CID 16582727

IUPAC6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccccc3N3CCCC3=O)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C26H27N5O2S/c1-15(2)31-25-20(14-27-31)19(13-22(28-25)18-12-16(3)34-17(18)4)26(33)29-21-8-5-6-9-23(21)30-11-7-10-24(30)32/h5-6,8-9,12-15H,7,10-11H2,1-4H3,(H,29,33)
InChIKeyYGPYBZWLCOSVBG-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.74
Rot. Bonds5

About 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16582727) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16582727
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccccc3N3CCCC3=O)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C26H27N5O2S/c1-15(2)31-25-20(14-27-31)19(13-22(28-25)18-12-16(3)34-17(18)4)26(33)29-21-8-5-6-9-23(21)30-11-7-10-24(30)32/h5-6,8-9,12-15H,7,10-11H2,1-4H3,(H,29,33)
InChIKeyYGPYBZWLCOSVBG-UHFFFAOYSA-N
XLogP5.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide 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 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16582727) is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccccc3N3CCCC3=O)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YGPYBZWLCOSVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-15(2)31-25-20(14-27-31)19(13-22(28-25)18-12-16(3)34-17(18)4)26(33)29-21-8-5-6-9-23(21)30-11-7-10-24(30)32/h5-6,8-9,12-15H,7,10-11H2,1-4H3,(H,29,33).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16582727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).