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

C26H33N5O3 — CID 55517859

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C26H33N5O3/c1-4-9-30-10-7-19(8-11-30)28-26(32)20-15-22(29-25-21(20)16-27-31(25)17(2)3)18-5-6-23-24(14-18)34-13-12-33-23/h5-6,14-17,19H,4,7-13H2,1-3H3,(H,28,32)
InChIKeyABRLRSUDQCCRMM-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.05
Rot. Bonds6

About 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

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 (PubChem CID 55517859) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55517859
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C26H33N5O3/c1-4-9-30-10-7-19(8-11-30)28-26(32)20-15-22(29-25-21(20)16-27-31(25)17(2)3)18-5-6-23-24(14-18)34-13-12-33-23/h5-6,14-17,19H,4,7-13H2,1-3H3,(H,28,32)
InChIKeyABRLRSUDQCCRMM-UHFFFAOYSA-N
XLogP4.05
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[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-(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-[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
[1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694486
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-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46551293
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 18135831
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1CCC(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is ABRLRSUDQCCRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-4-9-30-10-7-19(8-11-30)28-26(32)20-15-22(29-25-21(20)16-27-31(25)17(2)3)18-5-6-23-24(14-18)34-13-12-33-23/h5-6,14-17,19H,4,7-13H2,1-3H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 463.58 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 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)-1-propan-2-yl-N-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55517859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).