N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C21H24FN5O2 — CID 31764003

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C21H24FN5O2/c1-5-27(12-18(28)23-11-15-6-8-16(22)9-7-15)21(29)17-10-13(2)24-20-19(17)14(3)25-26(20)4/h6-10H,5,11-12H2,1-4H3,(H,23,28)
InChIKeyOKKKJHQISJGAIX-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 31764003) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID31764003
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C21H24FN5O2/c1-5-27(12-18(28)23-11-15-6-8-16(22)9-7-15)21(29)17-10-13(2)24-20-19(17)14(3)25-26(20)4/h6-10H,5,11-12H2,1-4H3,(H,23,28)
InChIKeyOKKKJHQISJGAIX-UHFFFAOYSA-N
XLogP2.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35337685
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86889051
N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030
N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120884432
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17489195
N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51335183
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 24509742
2-[2-methoxyethyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119189354
N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38045945

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 31764003) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)nc2c1c(C)nn2C.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is OKKKJHQISJGAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-5-27(12-18(28)23-11-15-6-8-16(22)9-7-15)21(29)17-10-13(2)24-20-19(17)14(3)25-26(20)4/h6-10H,5,11-12H2,1-4H3,(H,23,28).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31764003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).