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

C26H25N5O4 — CID 24596484

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C26H25N5O4/c1-15(2)31-24-20(14-28-31)19(26(33)29-18-6-4-5-17(11-18)25(32)27-3)13-21(30-24)16-7-8-22-23(12-16)35-10-9-34-22/h4-8,11-15H,9-10H2,1-3H3,(H,27,32)(H,29,33)
InChIKeyNFVBXVKHMXFNSX-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.06
Rot. Bonds5

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

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24596484) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24596484
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C26H25N5O4/c1-15(2)31-24-20(14-28-31)19(26(33)29-18-6-4-5-17(11-18)25(32)27-3)13-21(30-24)16-7-8-22-23(12-16)35-10-9-34-22/h4-8,11-15H,9-10H2,1-3H3,(H,27,32)(H,29,33)
InChIKeyNFVBXVKHMXFNSX-UHFFFAOYSA-N
XLogP4.06
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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)-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)-N-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486998
N-(2-anilino-2-oxoethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46418435
(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'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 24596654
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)-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-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-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-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NFVBXVKHMXFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-15(2)31-24-20(14-28-31)19(26(33)29-18-6-4-5-17(11-18)25(32)27-3)13-21(30-24)16-7-8-22-23(12-16)35-10-9-34-22/h4-8,11-15H,9-10H2,1-3H3,(H,27,32)(H,29,33).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 4.06, 5 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)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24596484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).