N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide

C27H19ClFN5O2 — CID 154656872

IUPACN-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESCc1cc(-c2nc3c(=O)c(C(=O)NCc4ccccc4)c[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C27H19ClFN5O2/c1-15-11-18(12-21(28)32-15)23-22(17-7-9-19(29)10-8-17)34-26-24(33-23)25(35)20(14-30-26)27(36)31-13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,31,36)(H,30,34,35)
InChIKeyHNWYNFBRRBOKFV-UHFFFAOYSA-N
MW499.93 g/mol
LogP5.08
Rot. Bonds5

About N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide

N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide (PubChem CID 154656872) has the molecular formula C27H19ClFN5O2 and a molecular weight of 499.93 g/mol. Its IUPAC name is N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide
PubChem CID154656872
Molecular FormulaC27H19ClFN5O2
Molecular Weight499.93 g/mol
Exact Mass499.12
IUPAC NameN-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESCc1cc(-c2nc3c(=O)c(C(=O)NCc4ccccc4)c[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C27H19ClFN5O2/c1-15-11-18(12-21(28)32-15)23-22(17-7-9-19(29)10-8-17)34-26-24(33-23)25(35)20(14-30-26)27(36)31-13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,31,36)(H,30,34,35)
InChIKeyHNWYNFBRRBOKFV-UHFFFAOYSA-N
XLogP5.08
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.93
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide (CID 154656872) is N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide is Cc1cc(-c2nc3c(=O)c(C(=O)NCc4ccccc4)c[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HNWYNFBRRBOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClFN5O2/c1-15-11-18(12-21(28)32-15)23-22(17-7-9-19(29)10-8-17)34-26-24(33-23)25(35)20(14-30-26)27(36)31-13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,31,36)(H,30,34,35).
What are the key properties of N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide?
N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide has a molecular weight of 499.93 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chloro-6-methyl-4-pyridinyl)-3-(4-fluorophenyl)-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 154656872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).