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

C23H25N5O5 — CID 134797182

IUPAC2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2cccnc21
InChIInChI=1S/C23H25N5O5/c1-32-15-14-28-20-18(4-3-9-24-20)25-19(23(28)31)22(30)27-12-10-26(11-13-27)21(29)16-5-7-17(33-2)8-6-16/h3-9H,10-15H2,1-2H3
InChIKeyWQFLBYHBKKHPHU-UHFFFAOYSA-N
MW451.48 g/mol
LogP1.04
Rot. Bonds6

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

2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134797182) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134797182
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2cccnc21
InChIInChI=1S/C23H25N5O5/c1-32-15-14-28-20-18(4-3-9-24-20)25-19(23(28)31)22(30)27-12-10-26(11-13-27)21(29)16-5-7-17(33-2)8-6-16/h3-9H,10-15H2,1-2H3
InChIKeyWQFLBYHBKKHPHU-UHFFFAOYSA-N
XLogP1.04
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
CID 134795834
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide
CID 134799128
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797015
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 134800423
4-[(4-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134797092
4-(3-methoxypropyl)-2-(4-phenylpiperidine-1-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134799498
2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134797009
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
2-(4-benzoylpiperazine-1-carbonyl)-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 134796790
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797301
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 134797182) is 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one is COCCn1c(=O)c(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2cccnc21.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is WQFLBYHBKKHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-32-15-14-28-20-18(4-3-9-24-20)25-19(23(28)31)22(30)27-12-10-26(11-13-27)21(29)16-5-7-17(33-2)8-6-16/h3-9H,10-15H2,1-2H3.
What are the key properties of 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 451.48 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134797182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).