N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide

C32H32ClF3N8O4 — CID 172629329

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)c2nc(C3CCC3)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C32H32ClF3N8O4/c1-3-23-27(42-9-11-43(12-10-42)31(48)26-28(46)17(2)38-16-39-26)29(47)25-30(37-14-22(41-25)18-5-4-6-18)44(23)15-24(45)40-21-8-7-19(13-20(21)33)32(34,35)36/h7-8,13-14,16,18,46H,3-6,9-12,15H2,1-2H3,(H,40,45)
InChIKeyUVZIMEPHPHLSNO-UHFFFAOYSA-N
MW685.11 g/mol
LogP4.70
Rot. Bonds7

About N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (PubChem CID 172629329) has the molecular formula C32H32ClF3N8O4 and a molecular weight of 685.11 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
PubChem CID172629329
Molecular FormulaC32H32ClF3N8O4
Molecular Weight685.11 g/mol
Exact Mass684.22
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)c2nc(C3CCC3)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C32H32ClF3N8O4/c1-3-23-27(42-9-11-43(12-10-42)31(48)26-28(46)17(2)38-16-39-26)29(47)25-30(37-14-22(41-25)18-5-4-6-18)44(23)15-24(45)40-21-8-7-19(13-20(21)33)32(34,35)36/h7-8,13-14,16,18,46H,3-6,9-12,15H2,1-2H3,(H,40,45)
InChIKeyUVZIMEPHPHLSNO-UHFFFAOYSA-N
XLogP4.70
TPSA146.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.11
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (CID 172629329) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)c2nc(C3CCC3)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The InChIKey is UVZIMEPHPHLSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClF3N8O4/c1-3-23-27(42-9-11-43(12-10-42)31(48)26-28(46)17(2)38-16-39-26)29(47)25-30(37-14-22(41-25)18-5-4-6-18)44(23)15-24(45)40-21-8-7-19(13-20(21)33)32(34,35)36/h7-8,13-14,16,18,46H,3-6,9-12,15H2,1-2H3,(H,40,45).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide has a molecular weight of 685.11 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-cyclobutyl-6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is sourced from PubChem (CID 172629329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).