2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C22H26FN5O2 — CID 19484958

IUPAC2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nn(CC(=O)NCCCN2CCOCC2)c2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C22H26FN5O2/c1-16-21-19(17-3-5-18(23)6-4-17)7-9-25-22(21)28(26-16)15-20(29)24-8-2-10-27-11-13-30-14-12-27/h3-7,9H,2,8,10-15H2,1H3,(H,24,29)
InChIKeyQSOGCCDUQMKLKA-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.38
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 19484958) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID19484958
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nn(CC(=O)NCCCN2CCOCC2)c2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C22H26FN5O2/c1-16-21-19(17-3-5-18(23)6-4-17)7-9-25-22(21)28(26-16)15-20(29)24-8-2-10-27-11-13-30-14-12-27/h3-7,9H,2,8,10-15H2,1H3,(H,24,29)
InChIKeyQSOGCCDUQMKLKA-UHFFFAOYSA-N
XLogP2.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide 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

2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-methoxypropyl)acetamide
CID 19485148
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485071
2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]acetamide
CID 19489329
N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19484935
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19485119
N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487081
2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19485391
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]ethanone
CID 19485074
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19484919
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 71700774
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide
CID 19485231
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482232

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 19484958) is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1nn(CC(=O)NCCCN2CCOCC2)c2nccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is QSOGCCDUQMKLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-16-21-19(17-3-5-18(23)6-4-17)7-9-25-22(21)28(26-16)15-20(29)24-8-2-10-27-11-13-30-14-12-27/h3-7,9H,2,8,10-15H2,1H3,(H,24,29).
What are the key properties of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 19484958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).