N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C21H14F4N4O — CID 134800727

IUPACN-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3F)cc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H14F4N4O/c1-29-19-15(11-26-29)14(20(30)28-17-8-3-2-7-16(17)22)10-18(27-19)12-5-4-6-13(9-12)21(23,24)25/h2-11H,1H3,(H,28,30)
InChIKeyBEVZGSABCHBWIZ-UHFFFAOYSA-N
MW414.36 g/mol
LogP5.05
Rot. Bonds3

About N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800727) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800727
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC NameN-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3F)cc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H14F4N4O/c1-29-19-15(11-26-29)14(20(30)28-17-8-3-2-7-16(17)22)10-18(27-19)12-5-4-6-13(9-12)21(23,24)25/h2-11H,1H3,(H,28,30)
InChIKeyBEVZGSABCHBWIZ-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801712
N-cyclopropyl-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788054
1-methyl-N-(2-pyridin-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802627
6-(4-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801357
N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800932
6-(3-fluorophenyl)-N-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802464
6-(3-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803326
N-(2-ethoxyphenyl)-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822777
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083
CID 134794690
CID 134794690
N-(3-fluorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802909

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800727) is N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)Nc3ccccc3F)cc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BEVZGSABCHBWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c1-29-19-15(11-26-29)14(20(30)28-17-8-3-2-7-16(17)22)10-18(27-19)12-5-4-6-13(9-12)21(23,24)25/h2-11H,1H3,(H,28,30).
What are the key properties of N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).