6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H25N5O2 — CID 95689858

About 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 95689858) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 95689858
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccccc1-c1cc(C(=O)N[C@H]2CCC(=O)NC2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C22H25N5O2/c1-13(2)27-21-18(12-24-27)17(22(29)25-15-8-9-20(28)23-11-15)10-19(26-21)16-7-5-4-6-14(16)3/h4-7,10,12-13,15H,8-9,11H2,1-3H3,(H,23,28)(H,25,29)/t15-/m0/s1
• InChIKey: QDEYZSJJTMVATE-HNNXBMFYSA-N
• XLogP: 3.00
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 95689858) is 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccccc1-c1cc(C(=O)N[C@H]2CCC(=O)NC2)c2cnn(C(C)C)c2n1.

What is the InChIKey of 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is QDEYZSJJTMVATE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13(2)27-21-18(12-24-27)17(22(29)25-15-8-9-20(28)23-11-15)10-19(26-21)16-7-5-4-6-14(16)3/h4-7,10,12-13,15H,8-9,11H2,1-3H3,(H,23,28)(H,25,29)/t15-/m0/s1.

What are the key properties of 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95689858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).