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

C26H23ClN6O3 — CID 134797301

IUPAC2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2nc3cccnc3n(CCc3ccccc3)c2=O)CC1
InChIInChI=1S/C26H23ClN6O3/c27-21-9-8-19(17-29-21)24(34)31-13-15-32(16-14-31)25(35)22-26(36)33(12-10-18-5-2-1-3-6-18)23-20(30-22)7-4-11-28-23/h1-9,11,17H,10,12-16H2
InChIKeyYMYLSAXPICYLMH-UHFFFAOYSA-N
MW502.96 g/mol
LogP2.68
Rot. Bonds5

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

2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134797301) has the molecular formula C26H23ClN6O3 and a molecular weight of 502.96 g/mol. Its IUPAC name is 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134797301
Molecular FormulaC26H23ClN6O3
Molecular Weight502.96 g/mol
Exact Mass502.15
IUPAC Name2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2nc3cccnc3n(CCc3ccccc3)c2=O)CC1
InChIInChI=1S/C26H23ClN6O3/c27-21-9-8-19(17-29-21)24(34)31-13-15-32(16-14-31)25(35)22-26(36)33(12-10-18-5-2-1-3-6-18)23-20(30-22)7-4-11-28-23/h1-9,11,17H,10,12-16H2
InChIKeyYMYLSAXPICYLMH-UHFFFAOYSA-N
XLogP2.68
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.96
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one (CID 134797301) is 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one is O=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2nc3cccnc3n(CCc3ccccc3)c2=O)CC1.
What is the InChIKey of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is YMYLSAXPICYLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O3/c27-21-9-8-19(17-29-21)24(34)31-13-15-32(16-14-31)25(35)22-26(36)33(12-10-18-5-2-1-3-6-18)23-20(30-22)7-4-11-28-23/h1-9,11,17H,10,12-16H2.
What are the key properties of 2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 502.96 g/mol, XLogP of 2.68, 5 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-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134797301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).