2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C23H36N6O3 — CID 55429159

IUPAC2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C23H36N6O3/c1-16(2)20-13-18(19-14-25-29(17(3)4)22(19)26-20)23(31)28-10-8-27(9-11-28)15-21(30)24-7-6-12-32-5/h13-14,16-17H,6-12,15H2,1-5H3,(H,24,30)
InChIKeyXAMOFHZLCUFULF-UHFFFAOYSA-N
MW444.58 g/mol
LogP2.05
Rot. Bonds9

About 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55429159) has the molecular formula C23H36N6O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55429159
Molecular FormulaC23H36N6O3
Molecular Weight444.58 g/mol
Exact Mass444.28
IUPAC Name2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C23H36N6O3/c1-16(2)20-13-18(19-14-25-29(17(3)4)22(19)26-20)23(31)28-10-8-27(9-11-28)15-21(30)24-7-6-12-32-5/h13-14,16-17H,6-12,15H2,1-5H3,(H,24,30)
InChIKeyXAMOFHZLCUFULF-UHFFFAOYSA-N
XLogP2.05
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 43045278
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31595087
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32982457
1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021617
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24554726
2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55508241
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32771223
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 78835364

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55429159) is 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is XAMOFHZLCUFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O3/c1-16(2)20-13-18(19-14-25-29(17(3)4)22(19)26-20)23(31)28-10-8-27(9-11-28)15-21(30)24-7-6-12-32-5/h13-14,16-17H,6-12,15H2,1-5H3,(H,24,30).
What are the key properties of 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55429159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).