1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C22H26FN5O2 — CID 20928060

IUPAC1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCOCC2)c2c(C)nn(-c3cccc(F)c3)c2n1
InChIInChI=1S/C22H26FN5O2/c1-15-13-19(22(29)24-7-4-8-27-9-11-30-12-10-27)20-16(2)26-28(21(20)25-15)18-6-3-5-17(23)14-18/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,24,29)
InChIKeyMDCQKKWLTRTFRW-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.63
Rot. Bonds6

About 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20928060) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20928060
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCOCC2)c2c(C)nn(-c3cccc(F)c3)c2n1
InChIInChI=1S/C22H26FN5O2/c1-15-13-19(22(29)24-7-4-8-27-9-11-30-12-10-27)20-16(2)26-28(21(20)25-15)18-6-3-5-17(23)14-18/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,24,29)
InChIKeyMDCQKKWLTRTFRW-UHFFFAOYSA-N
XLogP2.63
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863946
1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38447194
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46096716
1-(3-fluorophenyl)-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119392110
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 69279118
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20928060) is 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCCN2CCOCC2)c2c(C)nn(-c3cccc(F)c3)c2n1.
What is the InChIKey of 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is MDCQKKWLTRTFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-15-13-19(22(29)24-7-4-8-27-9-11-30-12-10-27)20-16(2)26-28(21(20)25-15)18-6-3-5-17(23)14-18/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,24,29).
What are the key properties of 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).