6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H37N5O3 — CID 60516172

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60516172) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 60516172
• Molecular Formula: C28H37N5O3
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.29
• IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1CCCCN1CCCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
• InChI: InChI=1S/C28H37N5O3/c1-19(2)33-27-23(18-30-33)22(28(34)29-11-5-7-13-32-12-6-4-8-20(32)3)17-24(31-27)21-9-10-25-26(16-21)36-15-14-35-25/h9-10,16-20H,4-8,11-15H2,1-3H3,(H,29,34)
• InChIKey: CBUAENVNQKQWQI-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60516172) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1CCCCN1CCCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C.

What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is CBUAENVNQKQWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-19(2)33-27-23(18-30-33)22(28(34)29-11-5-7-13-32-12-6-4-8-20(32)3)17-24(31-27)21-9-10-25-26(16-21)36-15-14-35-25/h9-10,16-20H,4-8,11-15H2,1-3H3,(H,29,34).

What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60516172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).