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

C27H25N5O5 — CID 134797840

IUPAC2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2nc3cccnc3n(-c3ccccc3OC)c2=O)CC1
InChIInChI=1S/C27H25N5O5/c1-36-21-11-5-3-8-18(21)25(33)30-14-16-31(17-15-30)26(34)23-27(35)32(20-10-4-6-12-22(20)37-2)24-19(29-23)9-7-13-28-24/h3-13H,14-17H2,1-2H3
InChIKeyHKJQPUNNAUREQE-UHFFFAOYSA-N
MW499.53 g/mol
LogP2.40
Rot. Bonds5

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

2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134797840) has the molecular formula C27H25N5O5 and a molecular weight of 499.53 g/mol. Its IUPAC name is 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134797840
Molecular FormulaC27H25N5O5
Molecular Weight499.53 g/mol
Exact Mass499.19
IUPAC Name2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2nc3cccnc3n(-c3ccccc3OC)c2=O)CC1
InChIInChI=1S/C27H25N5O5/c1-36-21-11-5-3-8-18(21)25(33)30-14-16-31(17-15-30)26(34)23-27(35)32(20-10-4-6-12-22(20)37-2)24-19(29-23)9-7-13-28-24/h3-13H,14-17H2,1-2H3
InChIKeyHKJQPUNNAUREQE-UHFFFAOYSA-N
XLogP2.40
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-benzoylpiperazine-1-carbonyl)-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 134796790
4-(2-methoxyphenyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 134800098
2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134797009
2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134796068
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159751
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
(2-methoxyphenyl)-[4-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
CID 74237962

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one (CID 134797840) is 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one is COc1ccccc1C(=O)N1CCN(C(=O)c2nc3cccnc3n(-c3ccccc3OC)c2=O)CC1.
What is the InChIKey of 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is HKJQPUNNAUREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5/c1-36-21-11-5-3-8-18(21)25(33)30-14-16-31(17-15-30)26(34)23-27(35)32(20-10-4-6-12-22(20)37-2)24-19(29-23)9-7-13-28-24/h3-13H,14-17H2,1-2H3.
What are the key properties of 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 499.53 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).