N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C18H17F3N4O2 — CID 71855273

IUPACN-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H17F3N4O2/c1-9(2)25-16-13(8-22-25)12(6-10(3)23-16)17(27)24-11-4-5-15(26)14(7-11)18(19,20)21/h4-9,26H,1-3H3,(H,24,27)
InChIKeyIRMVFYFGTINZND-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.30
Rot. Bonds3

About N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 71855273) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID71855273
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H17F3N4O2/c1-9(2)25-16-13(8-22-25)12(6-10(3)23-16)17(27)24-11-4-5-15(26)14(7-11)18(19,20)21/h4-9,26H,1-3H3,(H,24,27)
InChIKeyIRMVFYFGTINZND-UHFFFAOYSA-N
XLogP4.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
6-methyl-1-propan-2-yl-N-quinolin-6-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887694
6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31516879
6-methyl-1-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78875855
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46671652
6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810
N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17489482
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 120517900
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45490949
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoic acid
CID 120522396

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 71855273) is N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is IRMVFYFGTINZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-9(2)25-16-13(8-22-25)12(6-10(3)23-16)17(27)24-11-4-5-15(26)14(7-11)18(19,20)21/h4-9,26H,1-3H3,(H,24,27).
What are the key properties of N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71855273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).