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

C19H25N5O5 — CID 134799153

IUPAC2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21
InChIInChI=1S/C19H25N5O5/c1-28-12-4-7-24-17-14(5-3-6-20-17)21-16(19(24)27)18(26)23-10-8-22(9-11-23)15(25)13-29-2/h3,5-6H,4,7-13H2,1-2H3
InChIKeyXRBRBUIPQVSDSL-UHFFFAOYSA-N
MW403.44 g/mol
LogP-0.24
Rot. Bonds7

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

2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134799153) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134799153
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21
InChIInChI=1S/C19H25N5O5/c1-28-12-4-7-24-17-14(5-3-6-20-17)21-16(19(24)27)18(26)23-10-8-22(9-11-23)15(25)13-29-2/h3,5-6H,4,7-13H2,1-2H3
InChIKeyXRBRBUIPQVSDSL-UHFFFAOYSA-N
XLogP-0.24
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one (CID 134799153) is 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one is COCCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21.
What is the InChIKey of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is XRBRBUIPQVSDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-28-12-4-7-24-17-14(5-3-6-20-17)21-16(19(24)27)18(26)23-10-8-22(9-11-23)15(25)13-29-2/h3,5-6H,4,7-13H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 403.44 g/mol, XLogP of -0.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134799153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).