N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H23F2N5O2 — CID 52846168

IUPACN-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C25H23F2N5O2/c1-13(2)32-24-18(12-28-32)17(9-21(30-24)16-8-6-5-7-14(16)3)25(34)31-23-11-20(27)19(26)10-22(23)29-15(4)33/h5-13H,1-4H3,(H,29,33)(H,31,34)
InChIKeyIKUFWKQQMRCBAO-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.48
Rot. Bonds5

About N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52846168) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52846168
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C25H23F2N5O2/c1-13(2)32-24-18(12-28-32)17(9-21(30-24)16-8-6-5-7-14(16)3)25(34)31-23-11-20(27)19(26)10-22(23)29-15(4)33/h5-13H,1-4H3,(H,29,33)(H,31,34)
InChIKeyIKUFWKQQMRCBAO-UHFFFAOYSA-N
XLogP5.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134011934
6-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17468697
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
N-[4-(diethylcarbamoyl)phenyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46699731
2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78835736
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55592560
N-(1-acetyl-2,3-dihydroindol-5-yl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51533495
6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494038
6-(2-methylphenyl)-N-piperidin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119389505
6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55951668

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 52846168) is N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IKUFWKQQMRCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-13(2)32-24-18(12-28-32)17(9-21(30-24)16-8-6-5-7-14(16)3)25(34)31-23-11-20(27)19(26)10-22(23)29-15(4)33/h5-13H,1-4H3,(H,29,33)(H,31,34).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52846168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).