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

C27H27N5O4 — CID 46418435

IUPACN-(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
SMILESCC(C)n1ncc2c(C(=O)N(C)CC(=O)Nc3ccccc3)cc(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C27H27N5O4/c1-17(2)32-26-21(15-28-32)20(27(34)31(3)16-25(33)29-19-7-5-4-6-8-19)14-22(30-26)18-9-10-23-24(13-18)36-12-11-35-23/h4-10,13-15,17H,11-12,16H2,1-3H3,(H,29,33)
InChIKeyOHVLFUKVOIJLSA-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.16
Rot. Bonds6

About 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

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 (PubChem CID 46418435) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID46418435
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC NameN-(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
SMILESCC(C)n1ncc2c(C(=O)N(C)CC(=O)Nc3ccccc3)cc(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C27H27N5O4/c1-17(2)32-26-21(15-28-32)20(27(34)31(3)16-25(33)29-19-7-5-4-6-8-19)14-22(30-26)18-9-10-23-24(13-18)36-12-11-35-23/h4-10,13-15,17H,11-12,16H2,1-3H3,(H,29,33)
InChIKeyOHVLFUKVOIJLSA-UHFFFAOYSA-N
XLogP4.16
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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-[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)-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24594526
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-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24596484
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
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-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622151
(1,3-dioxoisoindol-2-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694705
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-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55920817
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1ncc2c(C(=O)N(C)CC(=O)Nc3ccccc3)cc(-c3ccc4c(c3)OCCO4)nc21.
What is the InChIKey of 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?
The InChIKey is OHVLFUKVOIJLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-17(2)32-26-21(15-28-32)20(27(34)31(3)16-25(33)29-19-7-5-4-6-8-19)14-22(30-26)18-9-10-23-24(13-18)36-12-11-35-23/h4-10,13-15,17H,11-12,16H2,1-3H3,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 485.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46418435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).