N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C23H25N5O3 — CID 60570837

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC1(c2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4C)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H25N5O3/c1-5-23(11-10-18(29)26-22(23)31)15-6-8-16(9-7-15)25-21(30)17-12-13(2)24-20-19(17)14(3)27-28(20)4/h6-9,12H,5,10-11H2,1-4H3,(H,25,30)(H,26,29,31)
InChIKeyDAAURVCKQZCDHI-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.92
Rot. Bonds4

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 60570837) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID60570837
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC1(c2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4C)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H25N5O3/c1-5-23(11-10-18(29)26-22(23)31)15-6-8-16(9-7-15)25-21(30)17-12-13(2)24-20-19(17)14(3)27-28(20)4/h6-9,12H,5,10-11H2,1-4H3,(H,25,30)(H,26,29,31)
InChIKeyDAAURVCKQZCDHI-UHFFFAOYSA-N
XLogP2.92
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86840062
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 71685436
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 60570571
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate
CID 16609341
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131932427
1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38468248

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 60570837) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCC1(c2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4C)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is DAAURVCKQZCDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-5-23(11-10-18(29)26-22(23)31)15-6-8-16(9-7-15)25-21(30)17-12-13(2)24-20-19(17)14(3)27-28(20)4/h6-9,12H,5,10-11H2,1-4H3,(H,25,30)(H,26,29,31).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60570837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).