N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

C35H41N9O6 — CID 177160270

IUPACN-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESC=C(CCC1CCC1)NC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)n2nc(-c3ccnc(OC)c3)nc12
InChIInChI=1S/C35H41N9O6/c1-4-25-30(41-13-15-42(16-14-41)33(47)29-31(46)24-11-17-50-26(24)19-37-29)34(48)44-35(39-32(40-44)23-10-12-36-28(18-23)49-3)43(25)20-27(45)38-21(2)8-9-22-6-5-7-22/h10,12,18-19,22,46H,2,4-9,11,13-17,20H2,1,3H3,(H,38,45)
InChIKeyXRJPITQSMLRAQK-UHFFFAOYSA-N
MW683.77 g/mol
LogP2.73
Rot. Bonds11

About N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 177160270) has the molecular formula C35H41N9O6 and a molecular weight of 683.77 g/mol. Its IUPAC name is N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID177160270
Molecular FormulaC35H41N9O6
Molecular Weight683.77 g/mol
Exact Mass683.32
IUPAC NameN-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESC=C(CCC1CCC1)NC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)n2nc(-c3ccnc(OC)c3)nc12
InChIInChI=1S/C35H41N9O6/c1-4-25-30(41-13-15-42(16-14-41)33(47)29-31(46)24-11-17-50-26(24)19-37-29)34(48)44-35(39-32(40-44)23-10-12-36-28(18-23)49-3)43(25)20-27(45)38-21(2)8-9-22-6-5-7-22/h10,12,18-19,22,46H,2,4-9,11,13-17,20H2,1,3H3,(H,38,45)
InChIKeyXRJPITQSMLRAQK-UHFFFAOYSA-N
XLogP2.73
TPSA169.31 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11878973, Example 34
CID 166140912
2-[2-(3,6-dihydro-2H-pyran-4-yl)-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide;ethane
CID 166140753
2-[5-ethyl-2-(4-methoxycyclohexen-1-yl)-6-[4-(3-methoxypyridine-2-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 166140849
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[(3R)-4-(4-hydroxyfuro[2,3-c]pyridine-5-carbonyl)-3-methylpiperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 172233528
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[(3R)-4-(4-hydroxyfuro[2,3-c]pyridine-5-carbonyl)-3-methylpiperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[5-fluoro-2-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 172233562
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxyfuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 172233597
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxyfuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[5-fluoro-2-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 172233623
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxyfuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 172233627
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[1'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-11-(2-methoxy-4-pyridinyl)-6-methyl-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide
CID 172314550
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[1'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-11-(6-methoxy-3-pyridinyl)-6-methyl-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide
CID 172314751
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 172390240
2-[(6R)-11-(3,6-dihydro-2H-pyran-4-yl)-1'-(3-hydroxypyridine-2-carbonyl)-6-methyl-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 176179323

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 177160270) is N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide is C=C(CCC1CCC1)NC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)n2nc(-c3ccnc(OC)c3)nc12.
What is the InChIKey of N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is XRJPITQSMLRAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N9O6/c1-4-25-30(41-13-15-42(16-14-41)33(47)29-31(46)24-11-17-50-26(24)19-37-29)34(48)44-35(39-32(40-44)23-10-12-36-28(18-23)49-3)43(25)20-27(45)38-21(2)8-9-22-6-5-7-22/h10,12,18-19,22,46H,2,4-9,11,13-17,20H2,1,3H3,(H,38,45).
What are the key properties of N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 683.77 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclobutylbut-1-en-2-yl)-2-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-pyridinyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 177160270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).