2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H16F4N4O4S — CID 59233764

IUPAC2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C22H16F4N4O4S/c1-27-21(31)19-18-12-15(10-11-30(18)28-20(19)13-2-4-14(23)5-3-13)29-35(32,33)17-8-6-16(7-9-17)34-22(24,25)26/h2-12,29H,1H3,(H,27,31)
InChIKeyXYVLJKVVMVIOBQ-UHFFFAOYSA-N
MW508.45 g/mol
LogP4.20
Rot. Bonds6

About 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233764) has the molecular formula C22H16F4N4O4S and a molecular weight of 508.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233764
Molecular FormulaC22H16F4N4O4S
Molecular Weight508.45 g/mol
Exact Mass508.08
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C22H16F4N4O4S/c1-27-21(31)19-18-12-15(10-11-30(18)28-20(19)13-2-4-14(23)5-3-13)29-35(32,33)17-8-6-16(7-9-17)34-22(24,25)26/h2-12,29H,1H3,(H,27,31)
InChIKeyXYVLJKVVMVIOBQ-UHFFFAOYSA-N
XLogP4.20
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233764) is 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XYVLJKVVMVIOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O4S/c1-27-21(31)19-18-12-15(10-11-30(18)28-20(19)13-2-4-14(23)5-3-13)29-35(32,33)17-8-6-16(7-9-17)34-22(24,25)26/h2-12,29H,1H3,(H,27,31).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 508.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).