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

C18H23N5O5 — CID 134798113

IUPAC2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21
InChIInChI=1S/C18H23N5O5/c1-27-11-10-23-16-13(4-3-5-19-16)20-15(18(23)26)17(25)22-8-6-21(7-9-22)14(24)12-28-2/h3-5H,6-12H2,1-2H3
InChIKeyDPPJTYWXPLRJGJ-UHFFFAOYSA-N
MW389.41 g/mol
LogP-0.63
Rot. Bonds6

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

2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134798113) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134798113
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21
InChIInChI=1S/C18H23N5O5/c1-27-11-10-23-16-13(4-3-5-19-16)20-15(18(23)26)17(25)22-8-6-21(7-9-22)14(24)12-28-2/h3-5H,6-12H2,1-2H3
InChIKeyDPPJTYWXPLRJGJ-UHFFFAOYSA-N
XLogP-0.63
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 134798113) is 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one is COCCn1c(=O)c(C(=O)N2CCN(C(=O)COC)CC2)nc2cccnc21.
What is the InChIKey of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is DPPJTYWXPLRJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-27-11-10-23-16-13(4-3-5-19-16)20-15(18(23)26)17(25)22-8-6-21(7-9-22)14(24)12-28-2/h3-5H,6-12H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 389.41 g/mol, XLogP of -0.63, 6 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-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134798113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).