2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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

C34H36F3N7O6S — CID 177160084

IUPAC2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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
SMILESCCc1c(N2CCN(C(=O)c3c(OC)[nH]cc(C)c3=O)CC2)c(=O)c2nc(-c3ccnc(OC)c3)sc2n1CC(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C34H36F3N7O6S/c1-5-20-25(42-8-10-43(11-9-42)30(48)23-26(46)18(2)13-39-28(23)50-4)27(47)24-31(51-29(40-24)19-6-7-38-22(12-19)49-3)44(20)14-21(45)41-33-15-32(16-33,17-33)34(35,36)37/h6-7,12-13H,5,8-11,14-17H2,1-4H3,(H,39,46)(H,41,45)
InChIKeyMHRSFNHTLWYFNO-UHFFFAOYSA-N
MW727.77 g/mol
LogP3.66
Rot. Bonds9

About 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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

2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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 (PubChem CID 177160084) has the molecular formula C34H36F3N7O6S and a molecular weight of 727.77 g/mol. Its IUPAC name is 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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.

Molecular Properties

Compound Name2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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
PubChem CID177160084
Molecular FormulaC34H36F3N7O6S
Molecular Weight727.77 g/mol
Exact Mass727.24
IUPAC Name2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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
SMILESCCc1c(N2CCN(C(=O)c3c(OC)[nH]cc(C)c3=O)CC2)c(=O)c2nc(-c3ccnc(OC)c3)sc2n1CC(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C34H36F3N7O6S/c1-5-20-25(42-8-10-43(11-9-42)30(48)23-26(46)18(2)13-39-28(23)50-4)27(47)24-31(51-29(40-24)19-6-7-38-22(12-19)49-3)44(20)14-21(45)41-33-15-32(16-33,17-33)34(35,36)37/h6-7,12-13H,5,8-11,14-17H2,1-4H3,(H,39,46)(H,41,45)
InChIKeyMHRSFNHTLWYFNO-UHFFFAOYSA-N
XLogP3.66
TPSA151.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.77
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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 with MolForge

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Related Compounds

6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 9956450
N-[4-cyclopropyl-1-[(6-methoxy-3-pyridinyl)amino]-1-oxobutan-2-yl]-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 168119273
N-[1-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 168119401
2-[5-Ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]thiazolo[5,4-b]pyridin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 176172589
2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride
CID 176172594
2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 176172595
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[5-ethyl-6-[4-(2-methoxy-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,3]thiazolo[5,4-b]pyridin-4-yl]acetamide
CID 176172612
Tert-butyl 4-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-4-[2-oxo-2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]amino]ethyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperazine-1-carboxylate
CID 176172623
N-[2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridin-4-yl]-3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride
CID 176803937
[2-[5-Ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]thiazolo[5,4-b]pyridin-4-yl]acetyl] 2,2,2-trifluoroacetate
CID 176803981
2-[5-ethyl-6-[4-(5-fluoro-2-methoxy-4-oxo-1H-pyridine-3-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[2.1.1]hexanyl]acetamide
CID 177160141
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-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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?
The IUPAC name of 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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 177160084) is 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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.
What is the SMILES notation for 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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?
The canonical SMILES for 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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 is CCc1c(N2CCN(C(=O)c3c(OC)[nH]cc(C)c3=O)CC2)c(=O)c2nc(-c3ccnc(OC)c3)sc2n1CC(=O)NC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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?
The InChIKey is MHRSFNHTLWYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N7O6S/c1-5-20-25(42-8-10-43(11-9-42)30(48)23-26(46)18(2)13-39-28(23)50-4)27(47)24-31(51-29(40-24)19-6-7-38-22(12-19)49-3)44(20)14-21(45)41-33-15-32(16-33,17-33)34(35,36)37/h6-7,12-13H,5,8-11,14-17H2,1-4H3,(H,39,46)(H,41,45).
What are the key properties of 2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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?
2-[5-ethyl-6-[4-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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 has a molecular weight of 727.77 g/mol, XLogP of 3.66, 9 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-(2-methoxy-5-methyl-4-oxo-1H-pyridine-3-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 is sourced from PubChem (CID 177160084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).