2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one

C23H23ClN6O3 — CID 134799315

IUPAC2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2nc3cccnc3n(C3CCCC3)c2=O)CC1
InChIInChI=1S/C23H23ClN6O3/c24-18-8-7-15(14-26-18)21(31)28-10-12-29(13-11-28)22(32)19-23(33)30(16-4-1-2-5-16)20-17(27-19)6-3-9-25-20/h3,6-9,14,16H,1-2,4-5,10-13H2
InChIKeyXCRRABPSKKIUMQ-UHFFFAOYSA-N
MW466.93 g/mol
LogP2.55
Rot. Bonds3

About 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one

2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one (PubChem CID 134799315) has the molecular formula C23H23ClN6O3 and a molecular weight of 466.93 g/mol. Its IUPAC name is 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one
PubChem CID134799315
Molecular FormulaC23H23ClN6O3
Molecular Weight466.93 g/mol
Exact Mass466.15
IUPAC Name2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2nc3cccnc3n(C3CCCC3)c2=O)CC1
InChIInChI=1S/C23H23ClN6O3/c24-18-8-7-15(14-26-18)21(31)28-10-12-29(13-11-28)22(32)19-23(33)30(16-4-1-2-5-16)20-17(27-19)6-3-9-25-20/h3,6-9,14,16H,1-2,4-5,10-13H2
InChIKeyXCRRABPSKKIUMQ-UHFFFAOYSA-N
XLogP2.55
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
CID 134799405
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797301
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
4-cyclopropyl-N,N-dimethyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797668
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134798452
CID 134796361
CID 134796361
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 134800423
2-(4-benzoylpiperazine-1-carbonyl)-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 134796790
N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134796821
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one (CID 134799315) is 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one is O=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2nc3cccnc3n(C3CCCC3)c2=O)CC1.
What is the InChIKey of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is XCRRABPSKKIUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3/c24-18-8-7-15(14-26-18)21(31)28-10-12-29(13-11-28)22(32)19-23(33)30(16-4-1-2-5-16)20-17(27-19)6-3-9-25-20/h3,6-9,14,16H,1-2,4-5,10-13H2.
What are the key properties of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one?
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 466.93 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134799315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).