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

C24H31N5O3 — CID 55486032

IUPACN-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
InChIInChI=1S/C24H31N5O3/c1-5-28(6-2)10-9-25-24(30)18-14-20(27-23-19(18)15-26-29(23)16(3)4)17-7-8-21-22(13-17)32-12-11-31-21/h7-8,13-16H,5-6,9-12H2,1-4H3,(H,25,30)
InChIKeyQEEVOVCDTHKXPM-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.52
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55486032) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55486032
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
InChIInChI=1S/C24H31N5O3/c1-5-28(6-2)10-9-25-24(30)18-14-20(27-23-19(18)15-26-29(23)16(3)4)17-7-8-21-22(13-17)32-12-11-31-21/h7-8,13-16H,5-6,9-12H2,1-4H3,(H,25,30)
InChIKeyQEEVOVCDTHKXPM-UHFFFAOYSA-N
XLogP3.52
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-(4-fluorophenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16594865
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-[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)-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24661280
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-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60516172
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-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55517859
[2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693693
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QEEVOVCDTHKXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-5-28(6-2)10-9-25-24(30)18-14-20(27-23-19(18)15-26-29(23)16(3)4)17-7-8-21-22(13-17)32-12-11-31-21/h7-8,13-16H,5-6,9-12H2,1-4H3,(H,25,30).
What are the key properties of N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55486032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).