2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

C28H20ClN5O — CID 154656678

IUPAC2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(Cc2cc3nc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cc1
InChIInChI=1S/C28H20ClN5O/c1-16-7-9-17(10-8-16)11-20-14-23-27(33-28(20)35)32-25(18-5-3-2-4-6-18)26(31-23)19-12-21-15-30-34-24(21)22(29)13-19/h2-10,12-15H,11H2,1H3,(H,30,34)(H,32,33,35)
InChIKeyWQYXGEWVIGISIA-UHFFFAOYSA-N
MW477.96 g/mol
LogP6.08
Rot. Bonds4

About 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154656678) has the molecular formula C28H20ClN5O and a molecular weight of 477.96 g/mol. Its IUPAC name is 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154656678
Molecular FormulaC28H20ClN5O
Molecular Weight477.96 g/mol
Exact Mass477.14
IUPAC Name2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(Cc2cc3nc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cc1
InChIInChI=1S/C28H20ClN5O/c1-16-7-9-17(10-8-16)11-20-14-23-27(33-28(20)35)32-25(18-5-3-2-4-6-18)26(31-23)19-12-21-15-30-34-24(21)22(29)13-19/h2-10,12-15H,11H2,1H3,(H,30,34)(H,32,33,35)
InChIKeyWQYXGEWVIGISIA-UHFFFAOYSA-N
XLogP6.08
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.96
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154656678) is 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is Cc1ccc(Cc2cc3nc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cc1.
What is the InChIKey of 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is WQYXGEWVIGISIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN5O/c1-16-7-9-17(10-8-16)11-20-14-23-27(33-28(20)35)32-25(18-5-3-2-4-6-18)26(31-23)19-12-21-15-30-34-24(21)22(29)13-19/h2-10,12-15H,11H2,1H3,(H,30,34)(H,32,33,35).
What are the key properties of 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 477.96 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154656678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).