N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H23FN6O — CID 44823458

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C22H23FN6O/c1-5-28-19(10-11-24-28)14(3)26-22(30)18-12-13(2)25-21-20(18)15(4)27-29(21)17-8-6-16(23)7-9-17/h6-12,14H,5H2,1-4H3,(H,26,30)
InChIKeyGVARWCIHMGMIJQ-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44823458) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44823458
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C22H23FN6O/c1-5-28-19(10-11-24-28)14(3)26-22(30)18-12-13(2)25-21-20(18)15(4)27-29(21)17-8-6-16(23)7-9-17/h6-12,14H,5H2,1-4H3,(H,26,30)
InChIKeyGVARWCIHMGMIJQ-UHFFFAOYSA-N
XLogP3.88
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 44823458) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCn1nccc1C(C)NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is GVARWCIHMGMIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-5-28-19(10-11-24-28)14(3)26-22(30)18-12-13(2)25-21-20(18)15(4)27-29(21)17-8-6-16(23)7-9-17/h6-12,14H,5H2,1-4H3,(H,26,30).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).