5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H28FN5O3 — CID 155775007

IUPAC5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(c(C(C)C)nn2-c2ccnc(F)c2)c1N1CCC(OC)CC1
InChIInChI=1S/C23H28FN5O3/c1-5-16-20(23(30)31)26-22-18(21(16)28-10-7-15(32-4)8-11-28)19(13(2)3)27-29(22)14-6-9-25-17(24)12-14/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,30,31)
InChIKeyNJCDKQDXRGGWNN-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.95
Rot. Bonds6

About 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 155775007) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID155775007
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(c(C(C)C)nn2-c2ccnc(F)c2)c1N1CCC(OC)CC1
InChIInChI=1S/C23H28FN5O3/c1-5-16-20(23(30)31)26-22-18(21(16)28-10-7-15(32-4)8-11-28)19(13(2)3)27-29(22)14-6-9-25-17(24)12-14/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,30,31)
InChIKeyNJCDKQDXRGGWNN-UHFFFAOYSA-N
XLogP3.95
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxylic acid
CID 121596878
US10759793, Example 79
CID 124125740
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146036004
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
6-(4-Fluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600249
6-(2,4-Difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600250
1-(Pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600251

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 155775007) is 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CCc1c(C(=O)O)nc2c(c(C(C)C)nn2-c2ccnc(F)c2)c1N1CCC(OC)CC1.
What is the InChIKey of 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is NJCDKQDXRGGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-5-16-20(23(30)31)26-22-18(21(16)28-10-7-15(32-4)8-11-28)19(13(2)3)27-29(22)14-6-9-25-17(24)12-14/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,30,31).
What are the key properties of 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 441.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 155775007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).