2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one

C19H25N5O4 — CID 134796033

IUPAC2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCC(=O)N1CCN(C(=O)c2nc3cccnc3n(CC(C)C)c2=O)CC1
InChIInChI=1S/C19H25N5O4/c1-13(2)11-24-17-14(5-4-6-20-17)21-16(19(24)27)18(26)23-9-7-22(8-10-23)15(25)12-28-3/h4-6,13H,7-12H2,1-3H3
InChIKeyBEVGWSZMVYOOMN-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.38
Rot. Bonds5

About 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one

2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134796033) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134796033
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCC(=O)N1CCN(C(=O)c2nc3cccnc3n(CC(C)C)c2=O)CC1
InChIInChI=1S/C19H25N5O4/c1-13(2)11-24-17-14(5-4-6-20-17)21-16(19(24)27)18(26)23-9-7-22(8-10-23)15(25)12-28-3/h4-6,13H,7-12H2,1-3H3
InChIKeyBEVGWSZMVYOOMN-UHFFFAOYSA-N
XLogP0.38
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one (CID 134796033) is 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one is COCC(=O)N1CCN(C(=O)c2nc3cccnc3n(CC(C)C)c2=O)CC1.
What is the InChIKey of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is BEVGWSZMVYOOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-13(2)11-24-17-14(5-4-6-20-17)21-16(19(24)27)18(26)23-9-7-22(8-10-23)15(25)12-28-3/h4-6,13H,7-12H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 387.44 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methylpropyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134796033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).