6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H20N6O3 — CID 47835400

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47835400) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 47835400
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3ccn[nH]3)cc(-c3ccc4c(c3)OCCO4)nc21
• InChI: InChI=1S/C21H20N6O3/c1-12(2)27-20-15(11-23-27)14(21(28)25-19-5-6-22-26-19)10-16(24-20)13-3-4-17-18(9-13)30-8-7-29-17/h3-6,9-12H,7-8H2,1-2H3,(H2,22,25,26,28)
• InChIKey: RXSHNTKOMSDDHL-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 106.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 47835400) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccn[nH]3)cc(-c3ccc4c(c3)OCCO4)nc21.

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

The InChIKey is RXSHNTKOMSDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-12(2)27-20-15(11-23-27)14(21(28)25-19-5-6-22-26-19)10-16(24-20)13-3-4-17-18(9-13)30-8-7-29-17/h3-6,9-12H,7-8H2,1-2H3,(H2,22,25,26,28).

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

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 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)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47835400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).