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

C27H24ClN5O4 — CID 134799324

IUPAC2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C27H24ClN5O4/c1-37-21-10-4-18(5-11-21)17-33-24-22(3-2-12-29-24)30-23(27(33)36)26(35)32-15-13-31(14-16-32)25(34)19-6-8-20(28)9-7-19/h2-12H,13-17H2,1H3
InChIKeyCKXMFHSSXRYDDY-UHFFFAOYSA-N
MW517.97 g/mol
LogP3.10
Rot. Bonds5

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

2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 134799324) has the molecular formula C27H24ClN5O4 and a molecular weight of 517.97 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID134799324
Molecular FormulaC27H24ClN5O4
Molecular Weight517.97 g/mol
Exact Mass517.15
IUPAC Name2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C27H24ClN5O4/c1-37-21-10-4-18(5-11-21)17-33-24-22(3-2-12-29-24)30-23(27(33)36)26(35)32-15-13-31(14-16-32)25(34)19-6-8-20(28)9-7-19/h2-12H,13-17H2,1H3
InChIKeyCKXMFHSSXRYDDY-UHFFFAOYSA-N
XLogP3.10
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.97
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (CID 134799324) is 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is COc1ccc(Cn2c(=O)c(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is CKXMFHSSXRYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O4/c1-37-21-10-4-18(5-11-21)17-33-24-22(3-2-12-29-24)30-23(27(33)36)26(35)32-15-13-31(14-16-32)25(34)19-6-8-20(28)9-7-19/h2-12H,13-17H2,1H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 517.97 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134799324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).