N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C26H21F4N5O2S — CID 155424580

IUPACN-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCN1C(=O)[C@@H](NC(=O)c2csc(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C26H21F4N5O2S/c1-3-34-23-19(14(2)33-35(23)17-7-5-4-6-8-17)20(15-9-11-16(27)12-10-15)21(24(34)37)32-22(36)18-13-38-25(31-18)26(28,29)30/h4-13,20-21H,3H2,1-2H3,(H,32,36)/t20-,21-/m0/s1
InChIKeyAAAOMBVYTJLJQO-SFTDATJTSA-N
MW543.55 g/mol
LogP5.09
Rot. Bonds5

About N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 155424580) has the molecular formula C26H21F4N5O2S and a molecular weight of 543.55 g/mol. Its IUPAC name is N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID155424580
Molecular FormulaC26H21F4N5O2S
Molecular Weight543.55 g/mol
Exact Mass543.14
IUPAC NameN-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCN1C(=O)[C@@H](NC(=O)c2csc(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C26H21F4N5O2S/c1-3-34-23-19(14(2)33-35(23)17-7-5-4-6-8-17)20(15-9-11-16(27)12-10-15)21(24(34)37)32-22(36)18-13-38-25(31-18)26(28,29)30/h4-13,20-21H,3H2,1-2H3,(H,32,36)/t20-,21-/m0/s1
InChIKeyAAAOMBVYTJLJQO-SFTDATJTSA-N
XLogP5.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

US12409171, Name RG-0014042
CID 155424272
US12409171, Name RG-0013997
CID 155424280
US12409171, Name RG-0013985
CID 155424528
US12409171, Name RG-0014043
CID 155424429
N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)-6-(pyrrolidin-1-yl)pyridazine-3-carboxamide
CID 73168725
1-(1,3-Benzothiazol-2-YL)-4-(2,3-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135893158
1-(1,3-Benzothiazol-2-YL)-4-(2,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135893160
1-(1,3-Benzothiazol-2-YL)-4-(3,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135893161
US11618753, Example 813
CID 155252212
US11618753, Example 812
CID 155252359
US12409171, Name RG-0014158
CID 155424191
US12409171, Name RG-0014005
CID 155424208

Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 155424580) is N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CCN1C(=O)[C@@H](NC(=O)c2csc(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AAAOMBVYTJLJQO-SFTDATJTSA-N. The full InChI is InChI=1S/C26H21F4N5O2S/c1-3-34-23-19(14(2)33-35(23)17-7-5-4-6-8-17)20(15-9-11-16(27)12-10-15)21(24(34)37)32-22(36)18-13-38-25(31-18)26(28,29)30/h4-13,20-21H,3H2,1-2H3,(H,32,36)/t20-,21-/m0/s1.
What are the key properties of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 543.55 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155424580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).