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

C21H14F4N4O — CID 45138012

IUPAC1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H14F4N4O/c22-15-4-6-16(7-5-15)29-18-8-9-26-19(17(18)12-28-29)20(30)27-11-13-2-1-3-14(10-13)21(23,24)25/h1-10,12H,11H2,(H,27,30)
InChIKeyYVFHLKXOZXRICD-UHFFFAOYSA-N
MW414.36 g/mol
LogP4.51
Rot. Bonds4

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

1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide (PubChem CID 45138012) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide
PubChem CID45138012
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC Name1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H14F4N4O/c22-15-4-6-16(7-5-15)29-18-8-9-26-19(17(18)12-28-29)20(30)27-11-13-2-1-3-14(10-13)21(23,24)25/h1-10,12H,11H2,(H,27,30)
InChIKeyYVFHLKXOZXRICD-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide (CID 45138012) is 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide?
The InChIKey is YVFHLKXOZXRICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c22-15-4-6-16(7-5-15)29-18-8-9-26-19(17(18)12-28-29)20(30)27-11-13-2-1-3-14(10-13)21(23,24)25/h1-10,12H,11H2,(H,27,30).
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 45138012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).