N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H24F2N4O — CID 55592560

IUPACN-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C25H24F2N4O/c1-5-30(17-10-11-21(26)22(27)12-17)25(32)19-13-23(18-9-7-6-8-16(18)4)29-24-20(19)14-28-31(24)15(2)3/h6-15H,5H2,1-4H3
InChIKeyIUJCSIMMBRYKEU-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.93
Rot. Bonds5

About N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55592560) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55592560
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC NameN-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C25H24F2N4O/c1-5-30(17-10-11-21(26)22(27)12-17)25(32)19-13-23(18-9-7-6-8-16(18)4)29-24-20(19)14-28-31(24)15(2)3/h6-15H,5H2,1-4H3
InChIKeyIUJCSIMMBRYKEU-UHFFFAOYSA-N
XLogP5.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52846168
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86783261
N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60513563
N-[4-(diethylcarbamoyl)phenyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46699731
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 78835832
N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55492047
N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34192670
2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 120519811
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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55592560) is N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IUJCSIMMBRYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O/c1-5-30(17-10-11-21(26)22(27)12-17)25(32)19-13-23(18-9-7-6-8-16(18)4)29-24-20(19)14-28-31(24)15(2)3/h6-15H,5H2,1-4H3.
What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55592560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).