N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide

C20H15F3N4O3S — CID 123623487

IUPACN-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n2nc(-c3cccnc3)cc12
InChIInChI=1S/C20H15F3N4O3S/c1-30-18-8-9-19(27-17(18)11-16(25-27)13-3-2-10-24-12-13)26-31(28,29)15-6-4-14(5-7-15)20(21,22)23/h2-12,26H,1H3
InChIKeyQCBWETCNQXYKGM-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.22
Rot. Bonds5

About N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 123623487) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID123623487
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC NameN-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n2nc(-c3cccnc3)cc12
InChIInChI=1S/C20H15F3N4O3S/c1-30-18-8-9-19(27-17(18)11-16(25-27)13-3-2-10-24-12-13)26-31(28,29)15-6-4-14(5-7-15)20(21,22)23/h2-12,26H,1H3
InChIKeyQCBWETCNQXYKGM-UHFFFAOYSA-N
XLogP4.22
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 123623487) is N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n2nc(-c3cccnc3)cc12.
What is the InChIKey of N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QCBWETCNQXYKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c1-30-18-8-9-19(27-17(18)11-16(25-27)13-3-2-10-24-12-13)26-31(28,29)15-6-4-14(5-7-15)20(21,22)23/h2-12,26H,1H3.
What are the key properties of N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 448.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 123623487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).