6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H29N5O2 — CID 16557300

IUPAC6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-17(2)33-26-23(16-29-33)22(15-25(31-26)20-13-14-20)28(35)32-24-12-8-7-11-21(24)27(34)30-18(3)19-9-5-4-6-10-19/h4-12,15-18,20H,13-14H2,1-3H3,(H,30,34)(H,32,35)
InChIKeyDEUSKDQCESIEBC-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.63
Rot. Bonds7

About 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16557300) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16557300
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-17(2)33-26-23(16-29-33)22(15-25(31-26)20-13-14-20)28(35)32-24-12-8-7-11-21(24)27(34)30-18(3)19-9-5-4-6-10-19/h4-12,15-18,20H,13-14H2,1-3H3,(H,30,34)(H,32,35)
InChIKeyDEUSKDQCESIEBC-UHFFFAOYSA-N
XLogP5.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)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-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16557300) is 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(NC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DEUSKDQCESIEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-17(2)33-26-23(16-29-33)22(15-25(31-26)20-13-14-20)28(35)32-24-12-8-7-11-21(24)27(34)30-18(3)19-9-5-4-6-10-19/h4-12,15-18,20H,13-14H2,1-3H3,(H,30,34)(H,32,35).
What are the key properties of 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16557300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).