2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one

C22H24ClN5O2 — CID 53194693

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccncc21
InChIInChI=1S/C22H24ClN5O2/c1-15(2)14-28-19-13-24-8-7-18(19)25-20(22(28)30)26-9-11-27(12-10-26)21(29)16-3-5-17(23)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyJWNPKLAIHKRFSE-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one (PubChem CID 53194693) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
PubChem CID53194693
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccncc21
InChIInChI=1S/C22H24ClN5O2/c1-15(2)14-28-19-13-24-8-7-18(19)25-20(22(28)30)26-9-11-27(12-10-26)21(29)16-3-5-17(23)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyJWNPKLAIHKRFSE-UHFFFAOYSA-N
XLogP3.06
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
N-methyl-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194749
N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194743
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194753
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609
1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
CID 50838535
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
CID 53131556
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429422
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194582
2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one
CID 53194637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one (CID 53194693) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one is CC(C)Cn1c(=O)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccncc21.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The InChIKey is JWNPKLAIHKRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-15(2)14-28-19-13-24-8-7-18(19)25-20(22(28)30)26-9-11-27(12-10-26)21(29)16-3-5-17(23)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one has a molecular weight of 425.92 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).