2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide

C31H32F3N7O5S — CID 177160145

IUPAC2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide
SMILESC=C(CCC(F)(F)F)NC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncccc3O)CC2)c(=O)c2sc(-c3ccnc(OC)c3)nc21
InChIInChI=1S/C31H32F3N7O5S/c1-4-20-25(39-12-14-40(15-13-39)30(45)24-21(42)6-5-10-36-24)26(44)27-28(38-29(47-27)19-8-11-35-23(16-19)46-3)41(20)17-22(43)37-18(2)7-9-31(32,33)34/h5-6,8,10-11,16,42H,2,4,7,9,12-15,17H2,1,3H3,(H,37,43)
InChIKeyUBFJKXOEFIRBPG-UHFFFAOYSA-N
MW671.70 g/mol
LogP4.13
Rot. Bonds10

About 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide

2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide (PubChem CID 177160145) has the molecular formula C31H32F3N7O5S and a molecular weight of 671.70 g/mol. Its IUPAC name is 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide
PubChem CID177160145
Molecular FormulaC31H32F3N7O5S
Molecular Weight671.70 g/mol
Exact Mass671.21
IUPAC Name2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide
SMILESC=C(CCC(F)(F)F)NC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncccc3O)CC2)c(=O)c2sc(-c3ccnc(OC)c3)nc21
InChIInChI=1S/C31H32F3N7O5S/c1-4-20-25(39-12-14-40(15-13-39)30(45)24-21(42)6-5-10-36-24)26(44)27-28(38-29(47-27)19-8-11-35-23(16-19)46-3)41(20)17-22(43)37-18(2)7-9-31(32,33)34/h5-6,8,10-11,16,42H,2,4,7,9,12-15,17H2,1,3H3,(H,37,43)
InChIKeyUBFJKXOEFIRBPG-UHFFFAOYSA-N
XLogP4.13
TPSA142.78 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.70
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide with MolForge

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Related Compounds

US10975068, Example 62
CID 132057805
2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 91342742
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[5-ethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[5,4-b]pyridin-4-yl]acetamide
CID 176172581
2-[5-ethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 176172585
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[5-ethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]acetamide
CID 176172607
6-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]-4-(3-methoxy-4-pyridinyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide
CID 176173806
N-(5-acetyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxamide
CID 176175745
2-[5-ethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-[4-(trifluoromethyl)cuban-1-yl]acetamide
CID 176803965
N-(4,4-difluoro-3-methylidenepentyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]acetamide
CID 177160047
2-[5-ethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-[3-(trifluoromethyl)cyclobutyl]acetamide
CID 177160079
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-[3-(trifluoromethyl)but-3-enyl]acetamide
CID 177160151
2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 177160164

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide?
The IUPAC name of 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide (CID 177160145) is 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide.
What is the SMILES notation for 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide?
The canonical SMILES for 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide is C=C(CCC(F)(F)F)NC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncccc3O)CC2)c(=O)c2sc(-c3ccnc(OC)c3)nc21.
What is the InChIKey of 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide?
The InChIKey is UBFJKXOEFIRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N7O5S/c1-4-20-25(39-12-14-40(15-13-39)30(45)24-21(42)6-5-10-36-24)26(44)27-28(38-29(47-27)19-8-11-35-23(16-19)46-3)41(20)17-22(43)37-18(2)7-9-31(32,33)34/h5-6,8,10-11,16,42H,2,4,7,9,12-15,17H2,1,3H3,(H,37,43).
What are the key properties of 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide?
2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide has a molecular weight of 671.70 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-(5,5,5-trifluoropent-1-en-2-yl)acetamide is sourced from PubChem (CID 177160145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).