3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C21H15F3N4O3 — CID 135853398

IUPAC3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c12
InChIInChI=1S/C21H15F3N4O3/c1-12-17-18(29)16(11-25-19(17)28(27-12)14-5-3-2-4-6-14)20(30)26-13-7-9-15(10-8-13)31-21(22,23)24/h2-11H,1H3,(H,25,29)(H,26,30)
InChIKeyHOAJZDQPEWSVLJ-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.17
Rot. Bonds4

About 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 135853398) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID135853398
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC Name3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c12
InChIInChI=1S/C21H15F3N4O3/c1-12-17-18(29)16(11-25-19(17)28(27-12)14-5-3-2-4-6-14)20(30)26-13-7-9-15(10-8-13)31-21(22,23)24/h2-11H,1H3,(H,25,29)(H,26,30)
InChIKeyHOAJZDQPEWSVLJ-UHFFFAOYSA-N
XLogP4.17
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-3-methyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135551980
3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86261897
N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135853420
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9399075
1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135686423
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16846137
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
5-chloro-3-methyl-1-phenyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 24682886
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 135853398) is 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c12.
What is the InChIKey of 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is HOAJZDQPEWSVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c1-12-17-18(29)16(11-25-19(17)28(27-12)14-5-3-2-4-6-14)20(30)26-13-7-9-15(10-8-13)31-21(22,23)24/h2-11H,1H3,(H,25,29)(H,26,30).
What are the key properties of 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135853398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).