6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H21N5O3 — CID 38535692

About 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 38535692) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 38535692
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ncccc1CNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C21H21N5O3/c1-13(2)26-19-16(12-24-26)15(10-17(25-19)18-7-5-9-29-18)20(27)23-11-14-6-4-8-22-21(14)28-3/h4-10,12-13H,11H2,1-3H3,(H,23,27)
• InChIKey: NHBWELDAEGXODY-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 38535692) is 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ncccc1CNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.

What is the InChIKey of 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is NHBWELDAEGXODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13(2)26-19-16(12-24-26)15(10-17(25-19)18-7-5-9-29-18)20(27)23-11-14-6-4-8-22-21(14)28-3/h4-10,12-13H,11H2,1-3H3,(H,23,27).

What are the key properties of 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38535692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).