(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide

C24H21F7N6O5S — CID 155115817

IUPAC(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCCS(N)(=O)=O)C(=O)N[C@@](c2ccc(OCC(F)(F)F)cc2F)(C(F)(F)F)C3)nc1
InChIInChI=1S/C24H21F7N6O5S/c1-12-2-5-17(34-10-12)37-19(21(39)33-6-7-43(32,40)41)18-16(36-37)9-22(24(29,30)31,35-20(18)38)14-4-3-13(8-15(14)25)42-11-23(26,27)28/h2-5,8,10H,6-7,9,11H2,1H3,(H,33,39)(H,35,38)(H2,32,40,41)/t22-/m0/s1
InChIKeyNPWCNVPWNMMFBX-QFIPXVFZSA-N
MW638.52 g/mol
LogP2.42
Rot. Bonds8

About (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide

(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155115817) has the molecular formula C24H21F7N6O5S and a molecular weight of 638.52 g/mol. Its IUPAC name is (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155115817
Molecular FormulaC24H21F7N6O5S
Molecular Weight638.52 g/mol
Exact Mass638.12
IUPAC Name(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCCS(N)(=O)=O)C(=O)N[C@@](c2ccc(OCC(F)(F)F)cc2F)(C(F)(F)F)C3)nc1
InChIInChI=1S/C24H21F7N6O5S/c1-12-2-5-17(34-10-12)37-19(21(39)33-6-7-43(32,40)41)18-16(36-37)9-22(24(29,30)31,35-20(18)38)14-4-3-13(8-15(14)25)42-11-23(26,27)28/h2-5,8,10H,6-7,9,11H2,1H3,(H,33,39)(H,35,38)(H2,32,40,41)/t22-/m0/s1
InChIKeyNPWCNVPWNMMFBX-QFIPXVFZSA-N
XLogP2.42
TPSA158.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.52
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 155115817) is (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(-n2nc3c(c2C(=O)NCCS(N)(=O)=O)C(=O)N[C@@](c2ccc(OCC(F)(F)F)cc2F)(C(F)(F)F)C3)nc1.
What is the InChIKey of (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NPWCNVPWNMMFBX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21F7N6O5S/c1-12-2-5-17(34-10-12)37-19(21(39)33-6-7-43(32,40)41)18-16(36-37)9-22(24(29,30)31,35-20(18)38)14-4-3-13(8-15(14)25)42-11-23(26,27)28/h2-5,8,10H,6-7,9,11H2,1H3,(H,33,39)(H,35,38)(H2,32,40,41)/t22-/m0/s1.
What are the key properties of (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 638.52 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-N-(2-sulfamoylethyl)-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155115817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).