4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one

C18H25N5O2 — CID 53021494

IUPAC4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCCCC(C)C(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C18H25N5O2/c1-4-6-13(2)17(24)23-11-9-22(10-12-23)16-18(25)21(3)15-14(20-16)7-5-8-19-15/h5,7-8,13H,4,6,9-12H2,1-3H3
InChIKeyVMOSCVGPLFZUIV-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.41
Rot. Bonds4

About 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one

4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 53021494) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
PubChem CID53021494
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCCCC(C)C(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C18H25N5O2/c1-4-6-13(2)17(24)23-11-9-22(10-12-23)16-18(25)21(3)15-14(20-16)7-5-8-19-15/h5,7-8,13H,4,6,9-12H2,1-3H3
InChIKeyVMOSCVGPLFZUIV-UHFFFAOYSA-N
XLogP1.41
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 95053319
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 86809385
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
N-butan-2-yl-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53016720
N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084391
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46324847
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (CID 53021494) is 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is CCCC(C)C(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1.
What is the InChIKey of 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is VMOSCVGPLFZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-6-13(2)17(24)23-11-9-22(10-12-23)16-18(25)21(3)15-14(20-16)7-5-8-19-15/h5,7-8,13H,4,6,9-12H2,1-3H3.
What are the key properties of 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 343.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 53021494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).