6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C27H24N6O4 — CID 24596654

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCC(C)n1ncc2c(C(=O)NNC(=O)c3c[nH]c4ccccc34)cc(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C27H24N6O4/c1-15(2)33-25-19(14-29-33)18(12-22(30-25)16-7-8-23-24(11-16)37-10-9-36-23)26(34)31-32-27(35)20-13-28-21-6-4-3-5-17(20)21/h3-8,11-15,28H,9-10H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyQRZUNCSWNYGUDN-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.01
Rot. Bonds4

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 24596654) has the molecular formula C27H24N6O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID24596654
Molecular FormulaC27H24N6O4
Molecular Weight496.53 g/mol
Exact Mass496.19
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCC(C)n1ncc2c(C(=O)NNC(=O)c3c[nH]c4ccccc34)cc(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C27H24N6O4/c1-15(2)33-25-19(14-29-33)18(12-22(30-25)16-7-8-23-24(11-16)37-10-9-36-23)26(34)31-32-27(35)20-13-28-21-6-4-3-5-17(20)21/h3-8,11-15,28H,9-10H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyQRZUNCSWNYGUDN-UHFFFAOYSA-N
XLogP4.01
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24594526
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)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
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
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486998
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
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
(2-anilino-2-oxoethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693749
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)-N-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16594865
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24661280
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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 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) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is CC(C)n1ncc2c(C(=O)NNC(=O)c3c[nH]c4ccccc34)cc(-c3ccc4c(c3)OCCO4)nc21.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is QRZUNCSWNYGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O4/c1-15(2)33-25-19(14-29-33)18(12-22(30-25)16-7-8-23-24(11-16)37-10-9-36-23)26(34)31-32-27(35)20-13-28-21-6-4-3-5-17(20)21/h3-8,11-15,28H,9-10H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 496.53 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 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'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 24596654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).