2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one

C19H17ClFN5O2 — CID 53194582

IUPAC2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc2ccncc21
InChIInChI=1S/C19H17ClFN5O2/c1-24-16-11-22-5-4-15(16)23-17(19(24)28)25-6-8-26(9-7-25)18(27)13-3-2-12(21)10-14(13)20/h2-5,10-11H,6-9H2,1H3
InChIKeyAFGVCPAOVSTAOY-UHFFFAOYSA-N
MW401.83 g/mol
LogP2.08
Rot. Bonds2

About 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one

2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (PubChem CID 53194582) has the molecular formula C19H17ClFN5O2 and a molecular weight of 401.83 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
PubChem CID53194582
Molecular FormulaC19H17ClFN5O2
Molecular Weight401.83 g/mol
Exact Mass401.11
IUPAC Name2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc2ccncc21
InChIInChI=1S/C19H17ClFN5O2/c1-24-16-11-22-5-4-15(16)23-17(19(24)28)25-6-8-26(9-7-25)18(27)13-3-2-12(21)10-14(13)20/h2-5,10-11H,6-9H2,1H3
InChIKeyAFGVCPAOVSTAOY-UHFFFAOYSA-N
XLogP2.08
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133469270
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609
2-[4-[2-(3,4-difluorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194614
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021549
4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
CID 53131472
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194575
4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194578
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
CID 25269089
(2-chloro-4-fluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 133284692
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194693

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (CID 53194582) is 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is Cn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc2ccncc21.
What is the InChIKey of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The InChIKey is AFGVCPAOVSTAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2/c1-24-16-11-22-5-4-15(16)23-17(19(24)28)25-6-8-26(9-7-25)18(27)13-3-2-12(21)10-14(13)20/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one has a molecular weight of 401.83 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).