2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide

C21H25ClN8O3 — CID 170344772

IUPAC2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cnc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)nc1
InChIInChI=1S/C21H25ClN8O3/c1-27(12-17(23)31)11-13-8-25-21(26-9-13)29-5-3-15(4-6-29)30-18-16(7-14(22)10-24-18)28(2)19(32)20(30)33/h7-10,15H,3-6,11-12H2,1-2H3,(H2,23,31)
InChIKeyVVWJPFMXUCVXRC-UHFFFAOYSA-N
MW472.94 g/mol
LogP0.30
Rot. Bonds6

About 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide

2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide (PubChem CID 170344772) has the molecular formula C21H25ClN8O3 and a molecular weight of 472.94 g/mol. Its IUPAC name is 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide
PubChem CID170344772
Molecular FormulaC21H25ClN8O3
Molecular Weight472.94 g/mol
Exact Mass472.17
IUPAC Name2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cnc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)nc1
InChIInChI=1S/C21H25ClN8O3/c1-27(12-17(23)31)11-13-8-25-21(26-9-13)29-5-3-15(4-6-29)30-18-16(7-14(22)10-24-18)28(2)19(32)20(30)33/h7-10,15H,3-6,11-12H2,1-2H3,(H2,23,31)
InChIKeyVVWJPFMXUCVXRC-UHFFFAOYSA-N
XLogP0.30
TPSA132.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide with MolForge

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Related Compounds

2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
7-chloro-4-[1-[5-[(2,4-dimethylpiperazin-1-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344609
7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344718
7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347633
4-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methylamino]benzonitrile
CID 170344626
4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
CID 170347486
4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381835
6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
CID 170344679
7-chloro-4-[1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381764
7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347525
7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 175956793
1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 170238575

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide (CID 170344772) is 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide is CN(CC(N)=O)Cc1cnc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)nc1.
What is the InChIKey of 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide?
The InChIKey is VVWJPFMXUCVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN8O3/c1-27(12-17(23)31)11-13-8-25-21(26-9-13)29-5-3-15(4-6-29)30-18-16(7-14(22)10-24-18)28(2)19(32)20(30)33/h7-10,15H,3-6,11-12H2,1-2H3,(H2,23,31).
What are the key properties of 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide?
2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide has a molecular weight of 472.94 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 170344772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).