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

C22H22N6O3 — CID 16622151

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccn(C)n3)cc(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C22H22N6O3/c1-13(2)28-21-16(12-23-28)15(22(29)25-20-6-7-27(3)26-20)11-17(24-21)14-4-5-18-19(10-14)31-9-8-30-18/h4-7,10-13H,8-9H2,1-3H3,(H,25,26,29)
InChIKeyCLJXFGXUKNLJFK-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.44
Rot. Bonds4

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

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16622151) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16622151
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccn(C)n3)cc(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C22H22N6O3/c1-13(2)28-21-16(12-23-28)15(22(29)25-20-6-7-27(3)26-20)11-17(24-21)14-4-5-18-19(10-14)31-9-8-30-18/h4-7,10-13H,8-9H2,1-3H3,(H,25,26,29)
InChIKeyCLJXFGXUKNLJFK-UHFFFAOYSA-N
XLogP3.44
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30476728
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
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6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486032
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24596484
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55517859
N-(1-methylpyrazol-3-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17393600
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55656638
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 24596654
3-oxobutan-2-yl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43051262
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16594865

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16622151) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-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-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccn(C)n3)cc(-c3ccc4c(c3)OCCO4)nc21.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CLJXFGXUKNLJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-13(2)28-21-16(12-23-28)15(22(29)25-20-6-7-27(3)26-20)11-17(24-21)14-4-5-18-19(10-14)31-9-8-30-18/h4-7,10-13H,8-9H2,1-3H3,(H,25,26,29).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).