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

C19H25N5O4 — CID 134797233

IUPAC4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
SMILESCCCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21
InChIInChI=1S/C19H25N5O4/c1-3-4-8-24-17-14(6-5-7-20-17)21-16(19(24)27)18(26)23-11-9-22(10-12-23)15(25)13-28-2/h5-7H,3-4,8-13H2,1-2H3
InChIKeyOEAMQAZSCHNMMJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.52
Rot. Bonds6

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

4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 134797233) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID134797233
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
SMILESCCCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21
InChIInChI=1S/C19H25N5O4/c1-3-4-8-24-17-14(6-5-7-20-17)21-16(19(24)27)18(26)23-11-9-22(10-12-23)15(25)13-28-2/h5-7H,3-4,8-13H2,1-2H3
InChIKeyOEAMQAZSCHNMMJ-UHFFFAOYSA-N
XLogP0.52
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one (CID 134797233) is 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one is CCCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21.
What is the InChIKey of 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is OEAMQAZSCHNMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-3-4-8-24-17-14(6-5-7-20-17)21-16(19(24)27)18(26)23-11-9-22(10-12-23)15(25)13-28-2/h5-7H,3-4,8-13H2,1-2H3.
What are the key properties of 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 387.44 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134797233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).