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

C22H16F4N4O — CID 134800753

IUPAC6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(C(F)(F)F)cc3)cc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C22H16F4N4O/c1-30-20-18(12-28-30)17(10-19(29-20)14-4-8-16(23)9-5-14)21(31)27-11-13-2-6-15(7-3-13)22(24,25)26/h2-10,12H,11H2,1H3,(H,27,31)
InChIKeyKBAZSOJNDHKSRP-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.72
Rot. Bonds4

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

6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800753) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800753
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC Name6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(C(F)(F)F)cc3)cc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C22H16F4N4O/c1-30-20-18(12-28-30)17(10-19(29-20)14-4-8-16(23)9-5-14)21(31)27-11-13-2-6-15(7-3-13)22(24,25)26/h2-10,12H,11H2,1H3,(H,27,31)
InChIKeyKBAZSOJNDHKSRP-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800753) is 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3ccc(C(F)(F)F)cc3)cc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KBAZSOJNDHKSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-30-20-18(12-28-30)17(10-19(29-20)14-4-8-16(23)9-5-14)21(31)27-11-13-2-6-15(7-3-13)22(24,25)26/h2-10,12H,11H2,1H3,(H,27,31).
What are the key properties of 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).